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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C17H26N2O3/c1-10-7-6-8-19(9-10)13(4)16(20)15-11(2)14(12(3)18-15)17(21)22-5/h10,13,18H,6-9H2,1-5H3/p+1/t10-,13-/m0/s1