ethyl 5-(2-isoquinolin-2-ium-2-ylethanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(2-isoquinolin-2-ium-2-ylethanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-isoquinolin-2-ium-2-ylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-isoquinolin-2-ium-2-ylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(2-isoquinolin-2-ium-2-ylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H21N2O3+ MolecularWeight: 337.39234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H20N2O3/c1-4-25-20(24)18-13(2)19(21-14(18)3)17(23)12-22-10-9-15-7-5-6-8-16(15)11-22/h5-11H,4,12H2,1-3H3/p+1