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

Systemtic Name: ethyl 5-[(2S)-2-[(2R)-2-aminocarbonylpiperidin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[(2R)-2-carbamoylpiperidin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(2R)-2-carbamoyl-1-piperidin-1-iumyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[(2R)-2-carbamoylpiperidin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(2R)-2-carbamoylpiperidin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+]2CCCCC2C(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-5-25-18(24)14-10(2)15(20-11(14)3)16(22)12(4)21-9-7-6-8-13(21)17(19)23/h12-13,20H,5-9H2,1-4H3,(H2,19,23)/p+1/t12-,13+/m0/s1