methyl-[[6-oxidanylidene-3-(1H-pyrazin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]-(1,3-thiazol-4-ylmethyl)azanium

Systemtic Name: methyl-[[6-oxidanylidene-3-(1H-pyrazin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]-(1,3-thiazol-4-ylmethyl)azanium Openeye Name: methyl-[[6-oxo-3-(1H-pyrazin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]-(thiazol-4-ylmethyl)ammonium CAS Name: methyl-[[6-oxo-3-(1H-pyrazin-2-ylidene)-1-cyclohexa-1,4-dienyl]methyl]-(4-thiazolylmethyl)ammonium IUPAC Name: methyl-[[6-oxo-3-(1H-pyrazin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]-(1,3-thiazol-4-ylmethyl)azanium Traditional Name: [6-keto-3-(1H-pyrazin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium Formula: C16H17N4OS+ MolecularWeight: 313.39738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C2C=NC=CN2)C=CC1=O)CC3=CSC=N3

Isomeric SMILES

C[NH+](CC1=CC(=C2C=NC=CN2)C=CC1=O)CC3=CSC=N3

InChI

InChI=1S/C16H16N4OS/c1-20(9-14-10-22-11-19-14)8-13-6-12(2-3-16(13)21)15-7-17-4-5-18-15/h2-7,10-11,18H,8-9H2,1H3/p+1