methyl 5-[(2S)-2-isoquinolin-2-ium-2-ylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-12-17(20(24)25-4)13(2)21-18(12)19(23)14(3)22-10-9-15-7-5-6-8-16(15)11-22/h5-11,14H,1-4H3/p+1/t14-/m0/s1