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

Systemtic Name: (1S)-2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanol CAS Name: (1S)-2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-phenylethanol Traditional Name: (1S)-2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanol Formula: C22H22N3O+ MolecularWeight: 344.42958

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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=CC=C4)O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O/c23-22-24(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25(22)16-21(26)18-11-5-2-6-12-18/h1-14,21,23,26H,15-16H2/p+1/t21-/m1/s1