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

Systemtic Name: 1-phenyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]pyrazole-4-carboxamide Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O/c26-20(17-14-23-25(15-17)18-6-2-1-3-7-18)22-13-16-8-9-21-19(12-16)24-10-4-5-11-24/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,22,26)/p+1