1-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione

Systemtic Name: 1-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Openeye Name: 1-[1-(o-tolyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione CAS Name: 1-[1-(2-methylphenyl)-1-piperazin-1-iumyl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione IUPAC Name: 1-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Traditional Name: 1-[1-(o-tolyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2(CCNCC2)C(=O)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1[N+]2(CCNCC2)C(=O)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H29N2O5/c1-16-7-5-6-8-18(16)25(11-9-24-10-12-25)22(27)15-19(26)17-13-20(28-2)23(30-4)21(14-17)29-3/h5-8,13-14,24H,9-12,15H2,1-4H3/q+1