2,4,6-trimethylbenzenesulfonate; 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium

Systemtic Name: 2,4,6-trimethylbenzenesulfonate; 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium Openeye Name: 2,4,6-trimethylbenzenesulfonate; 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium CAS Name: 2,4,6-trimethylbenzenesulfonate; 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium IUPAC Name: 2,4,6-trimethylbenzenesulfonate; 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium Traditional Name: 2,4,6-trimethylbesylate; 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=CC2=[N+](C3=CC=CC4=C3C(=CC=C4)N2C)N=C1C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=CC2=[N+](C3=CC=CC4=C3C(=CC=C4)N2C)N=C1C

InChI

InChI=1S/C17H16N3.C9H12O3S/c1-11-10-16-19(3)14-8-4-6-13-7-5-9-15(17(13)14)20(16)18-12(11)2;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-10H,1-3H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1