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

Systemtic Name: 4-(3-methylbutanoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(3-methylbutanoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-(3-methyl-1-oxobutyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(3-methylbutanoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-isovaleryl-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Formula: C17H28N3O3+ MolecularWeight: 322.42252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CNC(=C1)C(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC(C)CC(=O)C1=CNC(=C1)C(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H27N3O3/c1-13(2)10-16(21)14-11-15(19-12-14)17(22)18-4-3-5-20-6-8-23-9-7-20/h11-13,19H,3-10H2,1-2H3,(H,18,22)/p+1