methyl sulfate; 1-methyl-N-[(Z)-(1,2,5-trimethylpyrazol-3-ylidene)amino]indol-1-ium-3-imine

Systemtic Name: methyl sulfate; 1-methyl-N-[(Z)-(1,2,5-trimethylpyrazol-3-ylidene)amino]indol-1-ium-3-imine Openeye Name: methyl sulfate; 1-methyl-N-[(Z)-(1,2,5-trimethylpyrazol-3-ylidene)amino]indol-1-ium-3-imine CAS Name: methyl sulfate; 1-methyl-N-[(Z)-(1,2,5-trimethyl-3-pyrazolylidene)amino]-3-indol-1-iumimine IUPAC Name: methyl sulfate; 1-methyl-N-[(Z)-(1,2,5-trimethylpyrazol-3-ylidene)amino]indol-1-ium-3-imine Traditional Name: (E)-(1-methylindol-1-ium-3-ylidene)-[(Z)-(1,2,5-trimethyl-3-pyrazolin-3-ylidene)amino]amine; methyl sulfate Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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