(4-benzamidophenyl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: (4-benzamidophenyl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: (4-benzamidophenyl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid (4-benzamidophenyl) ester Formula: C23H22N3O3+ MolecularWeight: 388.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c27-22(17-7-2-1-3-8-17)25-18-10-12-19(13-11-18)29-23(28)20-9-6-14-24-21(20)26-15-4-5-16-26/h1-3,6-14H,4-5,15-16H2,(H,25,27)/p+1