dimethyl-[[2-[[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]methyl]benzyl]ammonium Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3C[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3C[NH+](C)C

InChI

InChI=1S/C23H30N4O5S/c1-17-8-9-21(27(29)30)14-22(17)33(31,32)26-12-10-18(11-13-26)23(28)24-15-19-6-4-5-7-20(19)16-25(2)3/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,24,28)/p+1