2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]ethyl]ammonium CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[(1-tosylisonipecotoyl)amino]ethyl]ammonium Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C21H35N3O3S/c1-16(2)24(17(3)4)15-12-22-21(25)19-10-13-23(14-11-19)28(26,27)20-8-6-18(5)7-9-20/h6-9,16-17,19H,10-15H2,1-5H3,(H,22,25)/p+1