N-(2-cyanoethyl)-N-phenyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O/c24-14-7-15-26(22-10-5-2-6-11-22)23(27)19-25-16-12-21(13-17-25)18-20-8-3-1-4-9-20/h1-6,8-11,21H,7,12-13,15-19H2/p+1