dimethyl-[1-[[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[2-nitro-4-(1-piperidylsulfonyl)anilino]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[2-nitro-4-(1-piperidinylsulfonyl)anilino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[(2-nitro-4-piperidinosulfonyl-anilino)methyl]cyclohexyl]ammonium Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O4S/c1-22(2)20(11-5-3-6-12-20)16-21-18-10-9-17(15-19(18)24(25)26)29(27,28)23-13-7-4-8-14-23/h9-10,15,21H,3-8,11-14,16H2,1-2H3/p+1