2-azanyl-4-nitro-benzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-yl-cyclohexyl)-1,2,4-triazol-4-ium-4-amine

Systemtic Name: 2-azanyl-4-nitro-benzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-yl-cyclohexyl)-1,2,4-triazol-4-ium-4-amine Openeye Name: 2-amino-4-nitro-benzenesulfonate; 1-(2-isopropyl-5-methyl-cyclohexyl)-3,5-dimethyl-1,2,4-triazol-4-ium-4-amine CAS Name: 2-amino-4-nitrobenzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,4-triazol-4-ium-4-amine IUPAC Name: 2-amino-4-nitrobenzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,4-triazol-4-ium-4-amine Traditional Name: 2-amino-4-nitro-besylate; [1-(2-isopropyl-5-methyl-cyclohexyl)-3,5-dimethyl-1,2,4-triazol-4-ium-4-yl]amine Formula: C20H32N6O5S MolecularWeight: 468.57028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N2C(=[N+](C(=N2)C)N)C)C(C)C.C1=CC(=C(C=C1[N+](=O)[O-])N)S(=O)(=O)[O-]

Isomeric SMILES

CC1CCC(C(C1)N2C(=[N+](C(=N2)C)N)C)C(C)C.C1=CC(=C(C=C1[N+](=O)[O-])N)S(=O)(=O)[O-]

InChI

InChI=1S/C14H27N4.C6H6N2O5S/c1-9(2)13-7-6-10(3)8-14(13)18-12(5)17(15)11(4)16-18;7-5-3-4(8(9)10)1-2-6(5)14(11,12)13/h9-10,13-14H,6-8,15H2,1-5H3;1-3H,7H2,(H,11,12,13)/q+1;/p-1