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

Systemtic Name: 1-[2-oxidanylidene-2-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(5S)-5-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)N2C(CC=N2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2[C@@H](CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c18-17(23)14-7-10-20(11-8-14)12-16(22)21-15(6-9-19-21)13-4-2-1-3-5-13/h1-5,9,14-15H,6-8,10-12H2,(H2,18,23)/p+1/t15-/m0/s1