1-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]piperidin-1-ium-4-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c18-17(23)14-6-9-20(10-7-14)12-16(22)21-11-8-15(19-21)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,18,23)/p+1