methyl 4-[(3-azanyl-2-methyl-benzimidazol-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(3-azanyl-2-methyl-benzimidazol-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(3-amino-2-methyl-benzimidazol-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(3-amino-2-methyl-1-benzimidazol-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-2-methylbenzimidazol-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(3-amino-2-methyl-benzimidazol-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C17H18N3O2+ MolecularWeight: 296.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1N)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1N)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H18N3O2/c1-12-19(15-5-3-4-6-16(15)20(12)18)11-13-7-9-14(10-8-13)17(21)22-2/h3-10H,11,18H2,1-2H3/q+1