1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one hydrate hydrochloride

Systemtic Name: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one hydrate hydrochloride Openeye Name: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one hydrate hydrochloride CAS Name: 1-(4-cyclopentylphenyl)-4-(4-methyl-1-piperazinyl)-1-butanone hydrate hydrochloride IUPAC Name: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one hydrate hydrochloride Traditional Name: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazino)butan-1-one hydrate hydrochloride Formula: C20H33ClN2O2 MolecularWeight: 368.94122

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)C3CCCC3.O.Cl

Isomeric SMILES

CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)C3CCCC3.O.Cl

InChI

InChI=1S/C20H30N2O.ClH.H2O/c1-21-13-15-22(16-14-21)12-4-7-20(23)19-10-8-18(9-11-19)17-5-2-3-6-17;;/h8-11,17H,2-7,12-16H2,1H3;1H;1H2