(6S)-6-methyl-1-(2-methylphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (6S)-6-methyl-1-(o-tolyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (6S)-6-methyl-1-(o-tolyl)-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-2-one Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

C[C@H]1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-15-8-6-7-9-18(15)24-16(2)12-23(14-22(24)25)13-17-10-20(27-4)21(28-5)11-19(17)26-3/h6-11,16H,12-14H2,1-5H3/p+1/t16-/m0/s1