1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-phenyl-5-tetrazolethione IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-phenyltetrazole-5-thione Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-phenyl-tetrazole-5-thione Formula: C20H21N6S2+ MolecularWeight: 409.55094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6S2/c27-20-25(22-23-26(20)16-6-2-1-3-7-16)14-24-12-10-15(11-13-24)19-21-17-8-4-5-9-18(17)28-19/h1-9,15H,10-14H2/p+1