(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-yl-propyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-yl-propyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(2,2-dimethyl-3-morpholino-propyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[2,2-dimethyl-3-(4-morpholinyl)propyl]-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2,2-dimethyl-3-morpholino-propyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C26H46N4O2+2 MolecularWeight: 446.66904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCC(C(C1)O)N2CC[NH+](CC2)CCC3=CC=CC=C3)CN4CCOCC4

Isomeric SMILES

CC(C)(C[NH+]1CC[C@H]([C@@H](C1)O)N2CC[NH+](CC2)CCC3=CC=CC=C3)CN4CCOCC4

InChI

InChI=1S/C26H44N4O2/c1-26(2,21-28-16-18-32-19-17-28)22-29-11-9-24(25(31)20-29)30-14-12-27(13-15-30)10-8-23-6-4-3-5-7-23/h3-7,24-25,31H,8-22H2,1-2H3/p+2/t24-,25-/m1/s1