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

Systemtic Name: 5-cyclopropyl-2-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-2-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-2-phenyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-2-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-2-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-3-carboxamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C25H28N4O/c30-25(26-17-19-8-10-20(11-9-19)18-28-14-4-5-15-28)24-16-23(21-12-13-21)27-29(24)22-6-2-1-3-7-22/h1-3,6-11,16,21H,4-5,12-15,17-18H2,(H,26,30)/p+1