1-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C17H18N5OS+ MolecularWeight: 340.42272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C17H17N5OS/c23-17-21(18-19-22(17)16-7-4-12-24-16)13-20-10-8-15(9-11-20)14-5-2-1-3-6-14/h1-8,12H,9-11,13H2/p+1