(1S)-2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-chlorophenyl)ethanol

Systemtic Name: (1S)-2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-chlorophenyl)ethanol Openeye Name: (1S)-2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanol CAS Name: (1S)-2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(4-chlorophenyl)ethanol IUPAC Name: (1S)-2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanol Traditional Name: (1S)-2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanol Formula: C22H21ClN3O+ MolecularWeight: 378.87464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(C4=CC=C(C=C4)Cl)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)C[C@H](C4=CC=C(C=C4)Cl)O)N

InChI

InChI=1S/C22H20ClN3O/c23-18-12-10-17(11-13-18)21(27)15-26-20-9-5-4-8-19(20)25(22(26)24)14-16-6-2-1-3-7-16/h1-13,21,24,27H,14-15H2/p+1/t21-/m1/s1