N-(phenylmethyl)-1-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(phenylmethyl)-1-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(phenylmethyl)-1-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C16H21N4OS2+ MolecularWeight: 349.49414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3C(=S)SC=N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3C(=S)SC=N3

InChI

InChI=1S/C16H20N4OS2/c21-15(17-10-13-4-2-1-3-5-13)14-6-8-19(9-7-14)12-20-16(22)23-11-18-20/h1-5,11,14H,6-10,12H2,(H,17,21)/p+1