4-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dihydrochloride

Systemtic Name: 4-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dihydrochloride Openeye Name: 4-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dihydrochloride CAS Name: 4-(4-phenyl-1-piperazinyl)-1-(3,4,5-trimethoxyphenyl)-1-butanone dihydrochloride IUPAC Name: 4-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dihydrochloride Traditional Name: 4-(4-phenylpiperazino)-1-(3,4,5-trimethoxyphenyl)butan-1-one dihydrochloride Formula: C23H32Cl2N2O4 MolecularWeight: 471.41718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C23H30N2O4.2ClH/c1-27-21-16-18(17-22(28-2)23(21)29-3)20(26)10-7-11-24-12-14-25(15-13-24)19-8-5-4-6-9-19;;/h4-6,8-9,16-17H,7,10-15H2,1-3H3;2*1H