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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S.ClH/c1-16-5-3-6-17(13-16)14-20-9-11-21(12-10-20)19(23)18-7-4-8-22(15-18)26(2,24)25;/h3,5-6,13,18H,4,7-12,14-15H2,1-2H3;1H