4-chloranyl-2-methyl-1-[2-methyl-4-(phenylmethyl)piperazin-1-yl]butan-1-one hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)CCCl)CC2=CC=CC=C2.Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)CCCl)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H25ClN2O.ClH/c1-14(8-9-18)17(21)20-11-10-19(12-15(20)2)13-16-6-4-3-5-7-16;/h3-7,14-15H,8-13H2,1-2H3;1H