1,5-dimethyl-N-[(Z)-(2-methylindol-3-ylidene)amino]-2-phenyl-pyrazol-2-ium-3-amine; methyl sulfate

Systemtic Name: 1,5-dimethyl-N-[(Z)-(2-methylindol-3-ylidene)amino]-2-phenyl-pyrazol-2-ium-3-amine; methyl sulfate Openeye Name: 1,5-dimethyl-N-[(Z)-(2-methylindol-3-ylidene)amino]-2-phenyl-pyrazol-2-ium-3-amine; methyl sulfate CAS Name: 1,5-dimethyl-N-[(Z)-(2-methyl-3-indolylidene)amino]-2-phenyl-3-pyrazol-2-iumamine; methyl sulfate IUPAC Name: 1,5-dimethyl-N-[(Z)-(2-methylindol-3-ylidene)amino]-2-phenylpyrazol-2-ium-3-amine; methyl sulfate Traditional Name: (1,5-dimethyl-2-phenyl-pyrazol-2-ium-3-yl)-[(Z)-(2-methylindol-3-ylidene)amino]amine; methyl sulfate Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1C)C2=CC=CC=C2)NN=C3C(=NC4=CC=CC=C43)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[N+](N1C)C2=CC=CC=C2)N/N=C/3\C(=NC4=CC=CC=C43)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H19N5.CH4O4S/c1-14-13-19(25(24(14)3)16-9-5-4-6-10-16)22-23-20-15(2)21-18-12-8-7-11-17(18)20;1-5-6(2,3)4/h4-13H,1-3H3;1H3,(H,2,3,4)/b23-20+;