N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-2-pyrrolidino-nicotinamide Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=C(N=CC=C3)N4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=C(N=CC=C3)N4CCCC4

InChI

InChI=1S/C23H30N4O/c28-23(21-11-8-12-24-22(21)27-15-6-7-16-27)25-17-19-9-2-3-10-20(19)18-26-13-4-1-5-14-26/h2-3,8-12H,1,4-7,13-18H2,(H,25,28)/p+1