(1-methylindol-3-yl)-(1,2,3-trimethylpyrazol-1-ium-4-yl)diazene; methyl sulfate

Systemtic Name: (1-methylindol-3-yl)-(1,2,3-trimethylpyrazol-1-ium-4-yl)diazene; methyl sulfate Openeye Name: (1-methylindol-3-yl)-(1,2,3-trimethylpyrazol-1-ium-4-yl)diazene; methyl sulfate CAS Name: (1-methyl-3-indolyl)-(1,2,3-trimethyl-4-pyrazol-1-iumyl)diazene; methyl sulfate IUPAC Name: (1-methylindol-3-yl)-(1,2,3-trimethylpyrazol-1-ium-4-yl)diazene; methyl sulfate Traditional Name: (1-methylindol-3-yl)-(1,2,3-trimethylpyrazol-1-ium-4-yl)diazene; methyl sulfate Formula: C16H21N5O4S MolecularWeight: 379.43404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](N1C)C)N=NC2=CN(C3=CC=CC=C32)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=[N+](N1C)C)N=NC2=CN(C3=CC=CC=C32)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H18N5.CH4O4S/c1-11-13(10-19(3)20(11)4)16-17-14-9-18(2)15-8-6-5-7-12(14)15;1-5-6(2,3)4/h5-10H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1