(3R)-N1-phenyl-N3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide

Systemtic Name: (3R)-N1-phenyl-N3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide Openeye Name: (3R)-N1-phenyl-N3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide CAS Name: (3R)-N1-phenyl-N3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide IUPAC Name: (3R)-1-N-phenyl-3-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide Traditional Name: (3R)-N-phenyl-N'-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]piperidine-1,3-dicarboxamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)[C@@H]3CCCN(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O2/c30-24(26-17-20-10-12-21(13-11-20)18-28-14-4-5-15-28)22-7-6-16-29(19-22)25(31)27-23-8-2-1-3-9-23/h1-3,8-13,22H,4-7,14-19H2,(H,26,30)(H,27,31)/p+1/t22-/m1/s1