N-[(E)-(1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]-1,2-dimethyl-indol-1-ium-3-imine; methyl sulfate

Systemtic Name: N-[(E)-(1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]-1,2-dimethyl-indol-1-ium-3-imine; methyl sulfate Openeye Name: N-[(E)-(1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]-1,2-dimethyl-indol-1-ium-3-imine; methyl sulfate CAS Name: N-[(E)-(1,5-dimethyl-2-phenyl-3-pyrazolylidene)amino]-1,2-dimethyl-3-indol-1-iumimine; methyl sulfate IUPAC Name: N-[(E)-(1,5-dimethyl-2-phenylpyrazol-3-ylidene)amino]-1,2-dimethylindol-1-ium-3-imine; methyl sulfate Traditional Name: (E)-(1,2-dimethylindol-1-ium-3-ylidene)-[(E)-(1,5-dimethyl-2-phenyl-3-pyrazolin-3-ylidene)amino]amine; methyl sulfate Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN=C2C(=[N+](C3=CC=CC=C32)C)C)N(N1C)C4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C/C(=N\N=C/2\C(=[N+](C3=CC=CC=C32)C)C)/N(N1C)C4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H22N5.CH4O4S/c1-15-14-20(26(25(15)4)17-10-6-5-7-11-17)22-23-21-16(2)24(3)19-13-9-8-12-18(19)21;1-5-6(2,3)4/h5-14H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1