2-[(3-nitrophenyl)amino]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(3-nitrophenyl)amino]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3-nitroanilino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(3-nitroanilino)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3-nitroanilino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(3-nitroanilino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c24-19(13-20-17-4-3-5-18(12-17)23(25)26)21-16-8-6-15(7-9-16)14-22-10-1-2-11-22/h3-9,12,20H,1-2,10-11,13-14H2,(H,21,24)/p+1