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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-isopropyl-tetrazole-5-thione CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-propan-2-yl-5-tetrazolethione IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-propan-2-yltetrazole-5-thione Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-isopropyl-tetrazole-5-thione Formula: C17H23N6S2+ MolecularWeight: 375.53472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=S)N(N=N1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)N1C(=S)N(N=N1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H22N6S2/c1-12(2)23-17(24)22(19-20-23)11-21-9-7-13(8-10-21)16-18-14-5-3-4-6-15(14)25-16/h3-6,12-13H,7-11H2,1-2H3/p+1