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

Systemtic Name: methyl 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetic acid methyl ester Formula: C13H18N3O2+ MolecularWeight: 248.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC

InChI

InChI=1S/C13H17N3O2/c1-3-8-15-10-6-4-5-7-11(10)16(13(15)14)9-12(17)18-2/h4-7,14H,3,8-9H2,1-2H3/p+1