dimethyl-[1-[[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[(1-tosylisonipecotoyl)amino]methyl]cycloheptyl]ammonium Formula: C23H38N3O3S+ MolecularWeight: 436.63112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCCC3)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCCC3)[NH+](C)C

InChI

InChI=1S/C23H37N3O3S/c1-19-8-10-21(11-9-19)30(28,29)26-16-12-20(13-17-26)22(27)24-18-23(25(2)3)14-6-4-5-7-15-23/h8-11,20H,4-7,12-18H2,1-3H3,(H,24,27)/p+1