3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C20H20N5OS+ MolecularWeight: 378.4707

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=O)C3=CC=CC=C3N=N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=O)C3=CC=CC=C3N=N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N5OS/c26-20-15-7-1-2-8-16(15)22-23-25(20)13-24-11-5-6-14(12-24)19-21-17-9-3-4-10-18(17)27-19/h1-4,7-10,14H,5-6,11-13H2/p+1/t14-/m1/s1