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

Systemtic Name: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one hydrate tetrahydrochloride Openeye Name: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one hydrate tetrahydrochloride CAS Name: 1-(4-cyclopentylphenyl)-4-(4-methyl-1-piperazinyl)-1-butanone hydrate tetrahydrochloride IUPAC Name: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one hydrate tetrahydrochloride Traditional Name: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazino)butan-1-one hydrate tetrahydrochloride Formula: C40H66Cl4N4O3 MolecularWeight: 792.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H30N2O.4ClH.H2O/c2*1-21-13-15-22(16-14-21)12-4-7-20(23)19-10-8-18(9-11-19)17-5-2-3-6-17;;;;;/h2*8-11,17H,2-7,12-16H2,1H3;4*1H;1H2