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

Systemtic Name: 3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(allylamino)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(allylamino)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C18H25N4S2+ MolecularWeight: 361.5479

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN(C(=S)S1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NN(C(=S)S1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4S2/c1-2-10-19-17-20-22(18(23)24-17)14-21-11-8-16(9-12-21)13-15-6-4-3-5-7-15/h2-7,16H,1,8-14H2,(H,19,20)/p+1