3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Formula: C17H18N5O2S+ MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C17H17N5O2S/c23-15-6-5-13(19-20-15)17(24)22-9-7-21(8-10-22)11-16-18-12-3-1-2-4-14(12)25-16/h1-6H,7-11H2,(H,20,23)/p+1