1-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-3-(3,4-dimethoxyphenoxy)propan-1-one hydrochloride

Systemtic Name: 1-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-3-(3,4-dimethoxyphenoxy)propan-1-one hydrochloride Openeye Name: 1-[4-(1-cyclopropyl-1-methyl-ethyl)piperazin-1-yl]-3-(3,4-dimethoxyphenoxy)propan-1-one hydrochloride CAS Name: 1-[4-(2-cyclopropylpropan-2-yl)-1-piperazinyl]-3-(3,4-dimethoxyphenoxy)-1-propanone hydrochloride IUPAC Name: 1-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-3-(3,4-dimethoxyphenoxy)propan-1-one hydrochloride Traditional Name: 1-[4-(1-cyclopropyl-1-methyl-ethyl)piperazino]-3-(3,4-dimethoxyphenoxy)propan-1-one hydrochloride Formula: C21H33ClN2O4 MolecularWeight: 412.95072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC1)N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CC(C)(C1CC1)N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)OC)OC.Cl

InChI

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