(2S)-1-(azepan-1-ium-1-yl)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-[2-[(4-methoxyphenyl)methyl]-1-benzimidazolyl]-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-p-anisylbenzimidazol-1-yl)propan-2-ol Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC(C[NH+]4CCCCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2C[C@@H](C[NH+]4CCCCCC4)O

InChI

InChI=1S/C24H31N3O2/c1-29-21-12-10-19(11-13-21)16-24-25-22-8-4-5-9-23(22)27(24)18-20(28)17-26-14-6-2-3-7-15-26/h4-5,8-13,20,28H,2-3,6-7,14-18H2,1H3/p+1/t20-/m1/s1