1-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(3-cyanoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(3-cyanoanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c23-14-18-7-4-8-20(13-18)25-21(27)16-26-11-9-19(10-12-26)22(28)24-15-17-5-2-1-3-6-17/h1-8,13,19H,9-12,15-16H2,(H,24,28)(H,25,27)/p+1