4-(3-methoxyphenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(3-methoxyphenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[(3-methoxyphenyl)-oxomethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-m-anisoyl-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=CNC(=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=CNC(=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3O4/c1-26-17-5-2-4-15(12-17)19(24)16-13-18(22-14-16)20(25)21-6-3-7-23-8-10-27-11-9-23/h2,4-5,12-14,22H,3,6-11H2,1H3,(H,21,25)/p+1