3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylate Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C(N=C4N3C=CC=C4)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(N=C4N3C=CC=C4)C(=O)[O-]

InChI

InChI=1S/C18H17N3O2/c22-18(23)17-15(21-9-4-3-7-16(21)19-17)12-20-10-8-13-5-1-2-6-14(13)11-20/h1-7,9H,8,10-12H2,(H,22,23)