1-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-oxo-4-(2-thienyl)tetrazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-oxo-4-thiophen-2-yl-1-tetrazolyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-keto-4-(2-thienyl)tetrazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C18H21N6O2S+ MolecularWeight: 385.46334

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C18H20N6O2S/c25-17(19-15-5-2-1-3-6-15)14-8-10-22(11-9-14)13-23-18(26)24(21-20-23)16-7-4-12-27-16/h1-7,12,14H,8-11,13H2,(H,19,25)/p+1