(1S)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-naphthalen-1-yl-ethanol

Systemtic Name: (1S)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-naphthalen-1-yl-ethanol Openeye Name: (1S)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(1-naphthyl)ethanol CAS Name: (1S)-2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(1-naphthalenyl)ethanol IUPAC Name: (1S)-2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-naphthalen-1-ylethanol Traditional Name: (1S)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(1-naphthyl)ethanol Formula: C20H20N3O+ MolecularWeight: 318.3923

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC=CC4=CC=CC=C43)O)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)C[C@H](C3=CC=CC4=CC=CC=C43)O)N

InChI

InChI=1S/C20H19N3O/c1-22-17-11-4-5-12-18(17)23(20(22)21)13-19(24)16-10-6-8-14-7-2-3-9-15(14)16/h2-12,19,21,24H,13H2,1H3/p+1/t19-/m1/s1