ethyl 3-(3-azanyl-2-methyl-benzimidazol-1-ium-1-yl)propanoate

Systemtic Name: ethyl 3-(3-azanyl-2-methyl-benzimidazol-1-ium-1-yl)propanoate Openeye Name: ethyl 3-(3-amino-2-methyl-benzimidazol-1-ium-1-yl)propanoate CAS Name: 3-(3-amino-2-methyl-1-benzimidazol-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-amino-2-methylbenzimidazol-1-ium-1-yl)propanoate Traditional Name: 3-(3-amino-2-methyl-benzimidazol-1-ium-1-yl)propionic acid ethyl ester Formula: C13H18N3O2+ MolecularWeight: 248.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N3O2/c1-3-18-13(17)8-9-15-10(2)16(14)12-7-5-4-6-11(12)15/h4-7H,3,8-9,14H2,1-2H3/q+1