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

Systemtic Name: ethyl 5-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]-2,4-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)C(=O)C[NH+]2CCC(CC2)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+]2CCC(CC2)C(=O)N)C

InChI

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