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

Systemtic Name: 1-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,3,4-tetrazol-5-one Openeye Name: 1-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)tetrazol-5-one CAS Name: 1-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-tetrazolone IUPAC Name: 1-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)tetrazol-5-one Traditional Name: 1-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)tetrazol-5-one Formula: C17H18N5O+ MolecularWeight: 308.35772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O/c23-17-21(18-19-22(17)16-8-2-1-3-9-16)13-20-11-10-14-6-4-5-7-15(14)12-20/h1-9H,10-13H2/p+1