3-methyl-N-[(E)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino]-1,3-thiazol-2-imine ethanoate

Systemtic Name: 3-methyl-N-[(E)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino]-1,3-thiazol-2-imine ethanoate Openeye Name: 3-methyl-N-[(E)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino]thiazol-2-imine acetate CAS Name: 3-methyl-N-[(E)-(1-methyl-2-phenyl-3-indol-1-iumylidene)amino]-2-thiazolimine acetate IUPAC Name: 3-methyl-N-[(E)-(1-methyl-2-phenylindol-1-ium-3-ylidene)amino]-1,3-thiazol-2-imine acetate Traditional Name: (E)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)-[(E)-(3-methyl-4-thiazolin-2-ylidene)amino]amine acetate Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C=CSC1=NN=C2C3=CC=CC=C3[N+](=C2C4=CC=CC=C4)C

Isomeric SMILES

CC(=O)[O-].CN\1C=CS/C1=N/N=C/2\C3=CC=CC=C3[N+](=C2C4=CC=CC=C4)C

InChI

InChI=1S/C19H17N4S.C2H4O2/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;1-2(3)4/h3-13H,1-2H3;1H3,(H,3,4)/q+1;/p-1