N-[2-(phenylmethyl)-1H-pyrazol-2-ium-3-yl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[2-(phenylmethyl)-1H-pyrazol-2-ium-3-yl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-(2-benzyl-1H-pyrazol-2-ium-3-yl)-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-[2-(phenylmethyl)-1H-pyrazol-2-ium-3-yl]-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-(2-benzyl-1H-pyrazol-2-ium-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-(2-benzyl-1H-pyrazol-2-ium-3-yl)-2-pyrrolidino-nicotinamide Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=[N+](NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=[N+](NC=C3)CC4=CC=CC=C4

InChI

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