ethyl 5-[(2S)-2-(3-aminocarbonylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-(3-aminocarbonylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(3-carbamoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(3-carbamoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(3-carbamoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-5-25-18(24)14-10(2)15(20-11(14)3)16(22)12(4)21-8-6-7-13(9-21)17(19)23/h6-9,12H,5H2,1-4H3,(H2-,19,20,22,23,24)/p+1/t12-/m0/s1