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

Systemtic Name: N-[1-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide Openeye Name: N-[1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide CAS Name: N-[1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-piperidin-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide Traditional Name: N-[1-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CC[NH+](CC1)CC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1CC[NH+](CC1)CC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4O3S/c1-25(23,24)19-15-7-10-20(11-8-15)13-17(22)21-12-9-16(18-21)14-5-3-2-4-6-14/h2-6,15,19H,7-13H2,1H3/p+1