1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one Formula: C18H19N6OS2+ MolecularWeight: 399.51306

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C(=O)N(N=N4)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C(=O)N(N=N4)C5=CC=CS5

InChI

InChI=1S/C18H18N6OS2/c25-18-23(20-21-24(18)16-6-3-11-26-16)12-22-9-7-13(8-10-22)17-19-14-4-1-2-5-15(14)27-17/h1-6,11,13H,7-10,12H2/p+1