1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-(2-thienyl)tetrazol-5-one CAS Name: 1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-(2-thienyl)tetrazol-5-one Formula: C15H16N5OS+ MolecularWeight: 314.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C15H15N5OS/c21-15-19(16-17-20(15)14-6-3-9-22-14)11-18-8-7-12-4-1-2-5-13(12)10-18/h1-6,9H,7-8,10-11H2/p+1