3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C25H28N5O2+ MolecularWeight: 430.52212

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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)C[NH+]5CCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C4=CC=CC=C4N(C3=O)C[NH+]5CCCCC5

InChI

InChI=1S/C25H27N5O2/c1-18-22(25(32)30(27(18)2)19-11-5-3-6-12-19)26-23-20-13-7-8-14-21(20)29(24(23)31)17-28-15-9-4-10-16-28/h3,5-8,11-14H,4,9-10,15-17H2,1-2H3/p+1