(5E)-5-(1H-indol-3-ylmethylidene)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5E)-5-(1H-indol-3-ylmethylidene)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5E)-5-(1H-indol-3-ylmethylene)-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5E)-5-(1H-indol-3-ylmethylidene)-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5E)-5-(1H-indol-3-ylmethylidene)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5E)-5-(1H-indol-3-ylmethylene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CNC4=CC=CC=C43)S2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)/C(=C\C3=CNC4=CC=CC=C43)/S2

InChI

InChI=1S/C17H18N4OS/c1-20-6-8-21(9-7-20)17-19-16(22)15(23-17)10-12-11-18-14-5-3-2-4-13(12)14/h2-5,10-11,18H,6-9H2,1H3/p+1/b15-10+