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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-piperidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH+]2CCCCC2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C16H24N2O3/c1-10-13(16(20)21-4)11(2)17-14(10)15(19)12(3)18-8-6-5-7-9-18/h12,17H,5-9H2,1-4H3/p+1/t12-/m0/s1