[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone hydrochloride

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone hydrochloride Openeye Name: (1-methylsulfonyl-3-piperidyl)-[4-(p-tolylmethyl)piperazin-1-yl]methanone hydrochloride CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazinyl]-(1-methylsulfonyl-3-piperidinyl)methanone hydrochloride IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone hydrochloride Traditional Name: (1-mesyl-3-piperidyl)-[4-(4-methylbenzyl)piperazino]methanone hydrochloride Formula: C19H30ClN3O3S MolecularWeight: 415.9778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C19H29N3O3S.ClH/c1-16-5-7-17(8-6-16)14-20-10-12-21(13-11-20)19(23)18-4-3-9-22(15-18)26(2,24)25;/h5-8,18H,3-4,9-15H2,1-2H3;1H