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

Systemtic Name: ethyl 2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 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-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC[NH+]3CCOCC3)C

InChI

InChI=1S/C21H28N2O3/c1-3-26-21(24)19-16-20(18-8-5-4-6-9-18)23(17(19)2)11-7-10-22-12-14-25-15-13-22/h4-6,8-9,16H,3,7,10-15H2,1-2H3/p+1