methyl 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanoate

Systemtic Name: methyl 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetic acid methyl ester Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2/c1-3-8-15-10-6-4-5-7-11(10)16(13(15)14)9-12(17)18-2/h3-7,14H,1,8-9H2,2H3/p+1