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

Systemtic Name: butyl 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C16H22N3O2+ MolecularWeight: 288.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-3-5-11-21-15(20)12-19-14-9-7-6-8-13(14)18(10-4-2)16(19)17/h4,6-9,17H,2-3,5,10-12H2,1H3/p+1