6-(1,2,3,4-tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 6-(1,2,3,4-tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 6-(tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 6-(1-tetrazolylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 6-(tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 6-(tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=C(C=C2)CN3C=NN=N3)C(=O)O

Isomeric SMILES

C1C(NCC2=C1C=C(C=C2)CN3C=NN=N3)C(=O)O

InChI

InChI=1S/C12H13N5O2/c18-12(19)11-4-10-3-8(1-2-9(10)5-13-11)6-17-7-14-15-16-17/h1-3,7,11,13H,4-6H2,(H,18,19)