2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C18H22N5S2+ MolecularWeight: 372.53078

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CCN1C=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N5S2/c1-2-9-22-12-19-23(18(22)24)13-21-10-7-14(8-11-21)17-20-15-5-3-4-6-16(15)25-17/h2-6,12,14H,1,7-11,13H2/p+1