4-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-butanoic acid dihydrochloride

Systemtic Name: 4-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-butanoic acid dihydrochloride Openeye Name: 4-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-butanoic acid dihydrochloride CAS Name: 4-(4-chlorophenyl)-3-[(4-methyl-1-piperazinyl)methyl]-4-oxobutanoic acid dihydrochloride IUPAC Name: 4-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-4-oxobutanoic acid dihydrochloride Traditional Name: 4-(4-chlorophenyl)-4-keto-3-[(4-methylpiperazino)methyl]butyric acid dihydrochloride Formula: C16H23Cl3N2O3 MolecularWeight: 397.72442

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CC(=O)O)C(=O)C2=CC=C(C=C2)Cl.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC(CC(=O)O)C(=O)C2=CC=C(C=C2)Cl.Cl.Cl

InChI

InChI=1S/C16H21ClN2O3.2ClH/c1-18-6-8-19(9-7-18)11-13(10-15(20)21)16(22)12-2-4-14(17)5-3-12;;/h2-5,13H,6-11H2,1H3,(H,20,21);2*1H