4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-yl-cyclohexyl)-1,2,4-triazol-4-ium-4-amine

Systemtic Name: 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-yl-cyclohexyl)-1,2,4-triazol-4-ium-4-amine Openeye Name: 4-(4-dimethylaminophenyl)azobenzenesulfonate; 1-(2-isopropyl-5-methyl-cyclohexyl)-3,5-dimethyl-1,2,4-triazol-4-ium-4-amine CAS Name: 4-(4-dimethylaminophenyl)azobenzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,4-triazol-4-ium-4-amine IUPAC Name: 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,4-triazol-4-ium-4-amine Traditional Name: 4-(4-dimethylaminophenyl)azobesylate; [1-(2-isopropyl-5-methyl-cyclohexyl)-3,5-dimethyl-1,2,4-triazol-4-ium-4-yl]amine Formula: C28H41N7O3S MolecularWeight: 555.73524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N2C(=[N+](C(=N2)C)N)C)C(C)C.CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC1CCC(C(C1)N2C(=[N+](C(=N2)C)N)C)C(C)C.CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C14H27N4.C14H15N3O3S/c1-9(2)13-7-6-10(3)8-14(13)18-12(5)17(15)11(4)16-18;1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h9-10,13-14H,6-8,15H2,1-5H3;3-10H,1-2H3,(H,18,19,20)/q+1;/p-1