ethyl 2,5-dimethyl-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CCC3=CC=CC=C3C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CCC3=CC=CC=C3C2)C)C

InChI

InChI=1S/C20H24N2O3/c1-4-25-20(24)19-14(3)21-13(2)18(19)17(23)12-22-10-9-15-7-5-6-8-16(15)11-22/h5-8,21H,4,9-12H2,1-3H3/p+1