2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoic acid Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetic acid CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetic acid IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)acetic acid Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetic acid Formula: C16H16N3O2+ MolecularWeight: 282.31714

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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(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c17-16-18(10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)19(16)11-15(20)21/h1-9,17H,10-11H2,(H,20,21)/p+1