2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C31H31N4O2+ MolecularWeight: 491.60344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6O

InChI

InChI=1S/C31H30N4O2/c36-30-13-7-6-12-28(30)34-18-16-33(17-19-34)22-31(37)35-29(24-9-2-1-3-10-24)21-27(32-35)26-15-14-23-8-4-5-11-25(23)20-26/h1-15,20,29,36H,16-19,21-22H2/p+1/t29-/m0/s1