(3R)-N1-phenyl-N3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide

Systemtic Name: (3R)-N1-phenyl-N3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide Openeye Name: (3R)-N1-phenyl-N3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide CAS Name: (3R)-N1-phenyl-N3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide IUPAC Name: (3R)-1-N-phenyl-3-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide Traditional Name: (3R)-N-phenyl-N'-[2-(piperidin-1-ium-1-ylmethyl)benzyl]piperidine-1,3-dicarboxamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)[C@@H]3CCCN(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O2/c31-25(23-12-9-17-30(20-23)26(32)28-24-13-3-1-4-14-24)27-18-21-10-5-6-11-22(21)19-29-15-7-2-8-16-29/h1,3-6,10-11,13-14,23H,2,7-9,12,15-20H2,(H,27,31)(H,28,32)/p+1/t23-/m1/s1