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

Systemtic Name: ethyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-6-24-18(23)17-13(3)19-12(2)16(17)15(22)11-21-9-7-14(8-10-21)20(4)5/h7-10H,6,11H2,1-5H3/p+1