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

Systemtic Name: 2-methyl-1-[4-(phenylmethyl)piperazin-1-yl]pentan-1-one hydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-methyl-pentan-1-one hydrochloride CAS Name: 2-methyl-1-[4-(phenylmethyl)-1-piperazinyl]-1-pentanone hydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-methylpentan-1-one hydrochloride Traditional Name: 1-(4-benzylpiperazino)-2-methyl-pentan-1-one hydrochloride Formula: C17H27ClN2O MolecularWeight: 310.86208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)N1CCN(CC1)CC2=CC=CC=C2.Cl

Isomeric SMILES

CCCC(C)C(=O)N1CCN(CC1)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H26N2O.ClH/c1-3-7-15(2)17(20)19-12-10-18(11-13-19)14-16-8-5-4-6-9-16;/h4-6,8-9,15H,3,7,10-14H2,1-2H3;1H