butyl 2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: butyl 2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanoate Openeye Name: butyl 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]acetic acid butyl ester IUPAC Name: butyl 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetic acid butyl ester Formula: C20H32N4O2+2 MolecularWeight: 360.49368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCCCC3)N

Isomeric SMILES

CCCCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCCCC3)N

InChI

InChI=1S/C20H30N4O2/c1-2-3-15-26-19(25)16-24-18-10-6-5-9-17(18)23(20(24)21)14-13-22-11-7-4-8-12-22/h5-6,9-10,21H,2-4,7-8,11-16H2,1H3/p+2