N-phenyl-1-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-phenyl-1-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: N-phenyl-1-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenyl-1-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C18H24N5OS2+ MolecularWeight: 390.54606

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H23N5OS2/c1-2-10-19-17-21-23(18(25)26-17)13-22-11-8-14(9-12-22)16(24)20-15-6-4-3-5-7-15/h2-7,14H,1,8-13H2,(H,19,21)(H,20,24)/p+1