(1S)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanol

Systemtic Name: (1S)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanol Openeye Name: (1S)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanol CAS Name: (1S)-2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(4-methoxyphenyl)ethanol IUPAC Name: (1S)-2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanol Traditional Name: (1S)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanol Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c1-19-14-5-3-4-6-15(14)20(17(19)18)11-16(21)12-7-9-13(22-2)10-8-12/h3-10,16,18,21H,11H2,1-2H3/p+1/t16-/m1/s1