dicyclohexylazanium; 4-(4-methylphenyl)-2H-1,2,3-triazole; nitrate

Systemtic Name: dicyclohexylazanium; 4-(4-methylphenyl)-2H-1,2,3-triazole; nitrate Openeye Name: dicyclohexylammonium; 4-(p-tolyl)-2H-triazole; nitrate CAS Name: dicyclohexylammonium; 4-(4-methylphenyl)-2H-triazole; nitrate IUPAC Name: dicyclohexylazanium; 4-(4-methylphenyl)-2H-triazole; nitrate Traditional Name: dicyclohexylammonium; 4-(p-tolyl)-2H-triazole; nitrate Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNN=C2.C1CCC(CC1)[NH2+]C2CCCCC2.[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNN=C2.C1CCC(CC1)[NH2+]C2CCCCC2.[N+](=O)([O-])[O-]

InChI

InChI=1S/C12H23N.C9H9N3.NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-2-4-8(5-3-7)9-6-10-12-11-9;2-1(3)4/h11-13H,1-10H2;2-6H,1H3,(H,10,11,12);/q;;-1/p+1