1-(3,4-dimethoxyphenyl)-4-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride

Systemtic Name: 1-(3,4-dimethoxyphenyl)-4-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Openeye Name: 1-(3,4-dimethoxyphenyl)-4-[4-(1-ethylpropyl)piperazin-1-yl]butane-1,4-dione hydrochloride CAS Name: 1-(3,4-dimethoxyphenyl)-4-(4-pentan-3-yl-1-piperazinyl)butane-1,4-dione hydrochloride IUPAC Name: 1-(3,4-dimethoxyphenyl)-4-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Traditional Name: 1-(3,4-dimethoxyphenyl)-4-[4-(1-ethylpropyl)piperazino]butane-1,4-dione hydrochloride Formula: C21H33ClN2O4 MolecularWeight: 412.95072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC.Cl

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC.Cl

InChI

InChI=1S/C21H32N2O4.ClH/c1-5-17(6-2)22-11-13-23(14-12-22)21(25)10-8-18(24)16-7-9-19(26-3)20(15-16)27-4;/h7,9,15,17H,5-6,8,10-14H2,1-4H3;1H