3-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]-1H-pyrazole-5-carboxamide Formula: C20H21ClN5O+ MolecularWeight: 382.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O/c21-16-5-3-15(4-6-16)17-12-18(25-24-17)20(27)23-13-14-7-8-22-19(11-14)26-9-1-2-10-26/h3-8,11-12H,1-2,9-10,13H2,(H,23,27)(H,24,25)/p+1