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

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Formula: C16H19N4S3+ MolecularWeight: 363.54386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H18N4S3/c1-11-18-20(16(21)22-11)10-19-8-6-12(7-9-19)15-17-13-4-2-3-5-14(13)23-15/h2-5,12H,6-10H2,1H3/p+1