5-(prop-2-enylamino)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(prop-2-enylamino)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(allylamino)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(prop-2-enylamino)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(prop-2-enylamino)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(allylamino)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C15H22N6S2+2 MolecularWeight: 350.50538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C=CCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H20N6S2/c1-2-6-17-14-18-21(15(22)23-14)12-19-8-10-20(11-9-19)13-5-3-4-7-16-13/h2-5,7H,1,6,8-12H2,(H,17,18)/p+2