N-(phenylmethyl)-1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(phenylmethyl)-1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]isonipecotamide Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c30-25(27-19-21-7-3-1-4-8-21)23-13-17-29(18-14-23)26(31)24-11-9-22(10-12-24)20-28-15-5-2-6-16-28/h1,3-4,7-12,23H,2,5-6,13-20H2,(H,27,30)/p+1