1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-2-piperidin-1-ium-1-yl-ethanone Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3O/c20-16(13-18-10-5-2-6-11-18)19-12-9-15(17-19)14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2/p+1