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

Systemtic Name: 4-(2-methylphenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-methylbenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[(2-methylphenyl)-oxomethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-methylbenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-o-toluoyl-1H-pyrrole-2-carboxamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3O3/c1-15-5-2-3-6-17(15)19(24)16-13-18(22-14-16)20(25)21-7-4-8-23-9-11-26-12-10-23/h2-3,5-6,13-14,22H,4,7-12H2,1H3,(H,21,25)/p+1