[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]methanone CAS Name: [(2S)-1-(4-methylphenyl)sulfonyl-2-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[(2S)-1-tosyl-2-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)N2CCCCC2C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H27N3O3S/c1-15-6-8-16(9-7-15)25(23,24)21-10-4-3-5-17(21)18(22)20-13-11-19(2)12-14-20/h6-9,17H,3-5,10-14H2,1-2H3/p+1/t17-/m0/s1