2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoic acid

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoic acid Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid CAS Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=C2CN3CCC4=CC=CC=C4C3)CC(=O)O

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=C2CN3CCC4=CC=CC=C4C3)CC(=O)O

InChI

InChI=1S/C20H21N3O2/c1-14-5-4-8-19-21-17(11-20(24)25)18(23(14)19)13-22-10-9-15-6-2-3-7-16(15)12-22/h2-8H,9-13H2,1H3,(H,24,25)/p+1