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

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(4-tert-butylbenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(4-tert-butylbenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-(4-tert-butylbenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-23(2,3)19-7-5-17(6-8-19)21(27)18-15-20(25-16-18)22(28)24-9-4-10-26-11-13-29-14-12-26/h5-8,15-16,25H,4,9-14H2,1-3H3,(H,24,28)/p+1