2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: 2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrole-3-carboxylate Openeye Name: 2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-5-phenyl-3-pyrrolecarboxylate IUPAC Name: 2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrole-3-carboxylate Traditional Name: 2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrole-3-carboxylate Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC[NH+]2CCOCC2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1CCC[NH+]2CCOCC2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H24N2O3/c1-15-17(19(22)23)14-18(16-6-3-2-4-7-16)21(15)9-5-8-20-10-12-24-13-11-20/h2-4,6-7,14H,5,8-13H2,1H3,(H,22,23)