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

Systemtic Name: 4-(2-ethylbutanoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-ethylbutanoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-(2-ethyl-1-oxobutyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-ethylbutanoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-(2-ethylbutanoyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3/c1-3-14(4-2)17(22)15-12-16(20-13-15)18(23)19-6-5-7-21-8-10-24-11-9-21/h12-14,20H,3-11H2,1-2H3,(H,19,23)/p+1