(4-methylpiperazin-4-ium-1-yl)-[(3R)-1-(phenylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[(3R)-1-(phenylsulfonyl)piperidin-3-yl]methanone Openeye Name: [(3R)-1-(benzenesulfonyl)-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3R)-1-(benzenesulfonyl)-3-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3R)-1-besyl-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H25N3O3S/c1-18-10-12-19(13-11-18)17(21)15-6-5-9-20(14-15)24(22,23)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3/p+1/t15-/m1/s1