3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C17H18N5O2S+ MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)C4=CC=CS4

InChI

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