cyclohexyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: cyclohexyl-[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C23H41N3O3+2 MolecularWeight: 407.58994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=C(C=CC(=C2)C[NH2+]C3CCCCC3)OC)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@H](COC2=C(C=CC(=C2)C[NH2+]C3CCCCC3)OC)O

InChI

InChI=1S/C23H39N3O3/c1-25-11-6-12-26(14-13-25)17-21(27)18-29-23-15-19(9-10-22(23)28-2)16-24-20-7-4-3-5-8-20/h9-10,15,20-21,24,27H,3-8,11-14,16-18H2,1-2H3/p+2/t21-/m1/s1