1-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[3-(4-cyanoanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(4-cyanoanilino)-3-oxopropyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[3-(4-cyanoanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[3-(4-cyanoanilino)-3-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O2/c24-16-18-6-8-21(9-7-18)26-22(28)12-15-27-13-10-20(11-14-27)23(29)25-17-19-4-2-1-3-5-19/h1-9,20H,10-15,17H2,(H,25,29)(H,26,28)/p+1