3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-indolin-2-one CAS Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-1-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]oxindole Formula: C31H33N6O2+ MolecularWeight: 521.63272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C4=CC=CC=C4N(C3=O)CN5CC[NH+](CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C4=CC=CC=C4N(C3=O)CN5CC[NH+](CC5)CC6=CC=CC=C6

InChI

InChI=1S/C31H32N6O2/c1-23-28(31(39)37(33(23)2)25-13-7-4-8-14-25)32-29-26-15-9-10-16-27(26)36(30(29)38)22-35-19-17-34(18-20-35)21-24-11-5-3-6-12-24/h3-16H,17-22H2,1-2H3/p+1