2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2-phenyl-indene-1,3-dione

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2-phenyl-indene-1,3-dione Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2-phenyl-indane-1,3-dione CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-2-phenylindene-1,3-dione IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2-phenylindene-1,3-dione Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2-phenyl-indane-1,3-quinone Formula: C27H27N2O2+ MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H26N2O2/c1-19-9-8-14-24(20(19)2)28-15-17-29(18-16-28)27(21-10-4-3-5-11-21)25(30)22-12-6-7-13-23(22)26(27)31/h3-14H,15-18H2,1-2H3/p+1