1-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxidanyl-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxidanyl-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 3-hydroxy-1-[1-(o-tolyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 3-hydroxy-1-[1-(2-methylphenyl)-1-piperazin-1-iumyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 3-hydroxy-1-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 3-hydroxy-1-[1-(o-tolyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N2O5/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/h5-8,13-14,19,24,26H,9-12,15H2,1-4H3/q+1