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

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Openeye Name: 3-[4-(o-tolyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride CAS Name: 3-[4-(2-methylphenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Traditional Name: 3-[4-(o-tolyl)piperazino]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Formula: C23H31ClN2O4 MolecularWeight: 434.95624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl

InChI

InChI=1S/C23H30N2O4.ClH/c1-17-7-5-6-8-19(17)25-13-11-24(12-14-25)10-9-20(26)18-15-21(27-2)23(29-4)22(16-18)28-3;/h5-8,15-16H,9-14H2,1-4H3;1H