(2R)-2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)propan-1-one CAS Name: (2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-methyl-1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(4-besylpiperazino)-2-(4-methylpiperidin-1-ium-1-yl)propan-1-one Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H29N3O3S/c1-16-8-10-20(11-9-16)17(2)19(23)21-12-14-22(15-13-21)26(24,25)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3/p+1/t17-/m1/s1