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

Systemtic Name: dimethyl-[1-[[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[(2-nitro-4-pyrrolidinosulfonyl-anilino)methyl]cyclohexyl]ammonium Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-21(2)19(10-4-3-5-11-19)15-20-17-9-8-16(14-18(17)23(24)25)28(26,27)22-12-6-7-13-22/h8-9,14,20H,3-7,10-13,15H2,1-2H3/p+1