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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-piperidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-piperidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(1-piperidin-1-iumyl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-piperidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-piperidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+]2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+]2CCCCC2)C

InChI

InChI=1S/C17H26N2O3/c1-5-22-17(21)14-11(2)15(18-12(14)3)16(20)13(4)19-9-7-6-8-10-19/h13,18H,5-10H2,1-4H3/p+1/t13-/m0/s1