2-[10-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-12-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-3,4,9-tris(oxidanyl)-6,14-bis(oxidanylidene)-1-oxacyclotetradec-2-yl]ethylazanium

Systemtic Name: 2-[10-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-12-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-3,4,9-tris(oxidanyl)-6,14-bis(oxidanylidene)-1-oxacyclotetradec-2-yl]ethylazanium Openeye Name: 2-[10-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethylammonium CAS Name: 2-[10-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3,4,9-trihydroxy-12-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethylammonium IUPAC Name: 2-[10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethylazanium Traditional Name: 2-[10-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-6,14-diketo-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-2-yl]ethylammonium Formula: C37H69N2O13+ MolecularWeight: 749.94936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(C(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)O)C)C)O)(C)O)CC[NH3+])C)OC3CC(C(C(O3)C)O)(C)OC)C)O)N(C)C

Isomeric SMILES

CC1CC(C(C(O1)OC2C(C(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)O)C)C)O)(C)O)CC[NH3+])C)OC3CC(C(C(O3)C)O)(C)OC)C)O)N(C)C

InChI

InChI=1S/C37H68N2O13/c1-18-16-35(7,45)32(52-34-28(41)24(39(10)11)15-19(2)48-34)21(4)29(51-26-17-36(8,47-12)31(43)23(6)49-26)22(5)33(44)50-25(13-14-38)37(9,46)30(42)20(3)27(18)40/h18-26,28-32,34,41-43,45-46H,13-17,38H2,1-12H3/p+1