1-[3-chloranyl-2,2-dimethyl-4-(phenylmethyl)piperazin-1-yl]butan-1-one hydrochloride

Systemtic Name: 1-[3-chloranyl-2,2-dimethyl-4-(phenylmethyl)piperazin-1-yl]butan-1-one hydrochloride Openeye Name: 1-(4-benzyl-3-chloro-2,2-dimethyl-piperazin-1-yl)butan-1-one hydrochloride CAS Name: 1-[3-chloro-2,2-dimethyl-4-(phenylmethyl)-1-piperazinyl]-1-butanone hydrochloride IUPAC Name: 1-(4-benzyl-3-chloro-2,2-dimethylpiperazin-1-yl)butan-1-one hydrochloride Traditional Name: 1-(4-benzyl-3-chloro-2,2-dimethyl-piperazino)butan-1-one hydrochloride Formula: C17H26Cl2N2O MolecularWeight: 345.30714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(C(C1(C)C)Cl)CC2=CC=CC=C2.Cl

Isomeric SMILES

CCCC(=O)N1CCN(C(C1(C)C)Cl)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H25ClN2O.ClH/c1-4-8-15(21)20-12-11-19(16(18)17(20,2)3)13-14-9-6-5-7-10-14;/h5-7,9-10,16H,4,8,11-13H2,1-3H3;1H