1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-[(5S)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CC=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c26-21(25-20(11-12-22-25)18-7-3-1-4-8-18)17-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,12,20H,11,13-17H2/p+1/t20-/m0/s1