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

Systemtic Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Openeye Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride CAS Name: 3-[4-(2-chlorophenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride IUPAC Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Traditional Name: 3-[4-(2-chlorophenyl)piperazino]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Formula: C22H28Cl2N2O4 MolecularWeight: 455.37472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC=CC=C3Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC=CC=C3Cl.Cl

InChI

InChI=1S/C22H27ClN2O4.ClH/c1-27-20-14-16(15-21(28-2)22(20)29-3)19(26)8-9-24-10-12-25(13-11-24)18-7-5-4-6-17(18)23;/h4-7,14-15H,8-13H2,1-3H3;1H