3-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-1-ol

Systemtic Name: 3-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-1-ol Openeye Name: 3-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)propan-1-ol CAS Name: 3-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-propanol IUPAC Name: 3-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)propan-1-ol Traditional Name: 3-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)propan-1-ol Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCO)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCO)N

InChI

InChI=1S/C17H19N3O/c18-17-19(11-6-12-21)15-9-4-5-10-16(15)20(17)13-14-7-2-1-3-8-14/h1-5,7-10,18,21H,6,11-13H2/p+1