2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone; naphthalene-2-sulfonate

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone; naphthalene-2-sulfonate Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(p-tolyl)ethanone; naphthalene-2-sulfonate CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone; 2-naphthalenesulfonate IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone; naphthalene-2-sulfonate Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(p-tolyl)ethanone; naphthalene-2-sulfonate Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=[N+](C(=N2)C)N)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=[N+](C(=N2)C)N)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H17N4O.C10H8O3S/c1-9-4-6-12(7-5-9)13(18)8-16-11(3)17(14)10(2)15-16;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h4-7H,8,14H2,1-3H3;1-7H,(H,11,12,13)/q+1;/p-1