[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[(3R)-1-(p-tolylsulfonyl)-3-piperidyl]methanone CAS Name: [(3R)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[(3R)-1-tosyl-3-piperidyl]methanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H27N3O3S/c1-15-5-7-17(8-6-15)25(23,24)21-9-3-4-16(14-21)18(22)20-12-10-19(2)11-13-20/h5-8,16H,3-4,9-14H2,1-2H3/p+1/t16-/m1/s1