6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one

Systemtic Name: 6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one Openeye Name: 6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-(m-tolyl)-4,5-dihydropyridazin-3-one CAS Name: 6-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one IUPAC Name: 6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one Traditional Name: 6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-(m-tolyl)-4,5-dihydropyridazin-3-one Formula: C24H26N5O2S+ MolecularWeight: 448.56054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N5O2S/c1-17-5-4-6-18(15-17)29-23(30)10-9-20(26-29)24(31)28-13-11-27(12-14-28)16-22-25-19-7-2-3-8-21(19)32-22/h2-8,15H,9-14,16H2,1H3/p+1