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

Systemtic Name: methyl 5-(2-isoquinolin-2-ium-2-ylethanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H19N2O3+ MolecularWeight: 323.36576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H18N2O3/c1-12-17(19(23)24-3)13(2)20-18(12)16(22)11-21-9-8-14-6-4-5-7-15(14)10-21/h4-10H,11H2,1-3H3/p+1