methyl 2-ethyl-4-methyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C)C(=O)OC

InChI

InChI=1S/C20H26N4O4/c1-4-15-17(20(26)27-3)13(2)18(23-15)19(25)22-12-14-5-6-16(21-11-14)24-7-9-28-10-8-24/h5-6,11,23H,4,7-10,12H2,1-3H3,(H,22,25)/p+1