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

Systemtic Name: ethyl 4-[2-[(3R)-3-aminocarbonylpiperidin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(3R)-3-carbamoylpiperidin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(3R)-3-carbamoyl-1-piperidin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3R)-3-carbamoylpiperidin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(3R)-3-carbamoylpiperidin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CCCC(C2)C(=O)N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CCC[C@H](C2)C(=O)N)C)C

InChI

InChI=1S/C17H25N3O4/c1-4-24-17(23)15-11(3)19-10(2)14(15)13(21)9-20-7-5-6-12(8-20)16(18)22/h12,19H,4-9H2,1-3H3,(H2,18,22)/p+1/t12-/m1/s1