1-[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-benzamidophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide CAS Name: 1-[2-(4-benzamidophenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(4-benzamidophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-benzamidophenyl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide Formula: C21H18N3O3+ MolecularWeight: 360.38592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H17N3O3/c22-20(26)16-10-12-24(13-11-16)14-19(25)15-6-8-18(9-7-15)23-21(27)17-4-2-1-3-5-17/h1-13H,14H2,(H2-,22,23,25,26,27)/p+1