1-phenyl-3-pyridin-3-yl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-3-pyridin-3-yl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-3-(3-pyridyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-phenyl-3-(3-pyridinyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-3-pyridin-3-yl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-3-(3-pyridyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C27H28N5O+ MolecularWeight: 438.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O/c33-27(29-18-21-9-4-5-10-23(21)19-31-15-6-7-16-31)25-20-32(24-12-2-1-3-13-24)30-26(25)22-11-8-14-28-17-22/h1-5,8-14,17,20H,6-7,15-16,18-19H2,(H,29,33)/p+1