(3S)-N3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-N1-phenyl-piperidine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-N1-phenyl-piperidine-1,3-dicarboxamide Openeye Name: (3S)-N3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-N1-phenyl-piperidine-1,3-dicarboxamide CAS Name: (3S)-N3-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-N1-phenylpiperidine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide Traditional Name: (3S)-N'-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-N-phenyl-piperidine-1,3-dicarboxamide Formula: C25H32ClN4O2+ MolecularWeight: 456.00018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H31ClN4O2/c26-21-10-8-19(9-11-21)17-29-15-12-23(13-16-29)27-24(31)20-5-4-14-30(18-20)25(32)28-22-6-2-1-3-7-22/h1-3,6-11,20,23H,4-5,12-18H2,(H,27,31)(H,28,32)/p+1/t20-/m0/s1