methyl 5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-10-6-11(2)8-19(7-10)9-14(20)16-12(3)15(13(4)18-16)17(21)22-5/h10-11,18H,6-9H2,1-5H3/p+1/t10-,11-/m1/s1