ethyl 4-ethanoyl-3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethanoyl-3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3-methyl-5-(4-morpholin-4-iumylmethyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C[NH+]2CCOCC2)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C[NH+]2CCOCC2)C(=O)C)C

InChI

InChI=1S/C15H22N2O4/c1-4-21-15(19)14-10(2)13(11(3)18)12(16-14)9-17-5-7-20-8-6-17/h16H,4-9H2,1-3H3/p+1