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

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c27-23(26-16-13-22(24-26)21-9-5-2-6-10-21)18-25-14-11-20(12-15-25)17-19-7-3-1-4-8-19/h1-10,20H,11-18H2/p+1