(1R)-2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanol

Systemtic Name: (1R)-2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanol Openeye Name: (1R)-2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanol CAS Name: (1R)-2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(4-methoxyphenyl)ethanol IUPAC Name: (1R)-2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanol Traditional Name: (1R)-2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanol Formula: C23H24N3O2+ MolecularWeight: 374.45556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H23N3O2/c1-28-19-13-11-18(12-14-19)22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)15-17-7-3-2-4-8-17/h2-14,22,24,27H,15-16H2,1H3/p+1/t22-/m0/s1