1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-1-[2-(benzylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(benzylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-1-[2-(benzylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C22H22N3O2+ MolecularWeight: 360.42898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C[N+]2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C[N+]2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2/c26-21(23-14-18-8-3-1-4-9-18)17-25-13-7-12-20(16-25)22(27)24-15-19-10-5-2-6-11-19/h1-13,16H,14-15,17H2,(H-,23,24,26,27)/p+1