1-(3,4-dimethylphenyl)-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dimethylphenyl)-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dimethylphenyl)-4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)C

InChI

InChI=1S/C24H30N2O2/c1-18-8-9-21(16-20(18)3)23(27)10-11-24(28)26-14-12-25(13-15-26)17-22-7-5-4-6-19(22)2/h4-9,16H,10-15,17H2,1-3H3/p+1