2-(1,3-benzothiazol-2-yl)-5-methyl-4-(2-piperazin-1-ylethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(2-piperazin-1-ylethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(2-piperazin-1-ylethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[2-(1-piperazinyl)ethylimino]-6-(trifluoromethyl)-3-pyridazin-2-iumone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(2-piperazin-1-ylethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(2-piperazinoethylimino)-6-(trifluoromethyl)pyridazin-2-ium-3-one Formula: C19H20F3N6OS+ MolecularWeight: 437.46191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=[N+](C(=O)C1=NCCN2CCNCC2)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

CC1=C(N=[N+](C(=O)C1=NCCN2CCNCC2)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C19H20F3N6OS/c1-12-15(24-8-11-27-9-6-23-7-10-27)17(29)28(26-16(12)19(20,21)22)18-25-13-4-2-3-5-14(13)30-18/h2-5,23H,6-11H2,1H3/q+1