6-bromanyl-8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 6-bromo-8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-chromene-3-carboxamide CAS Name: 6-bromo-8-methoxy-N-[3-(4-morpholin-4-iumyl)propyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxochromene-3-carboxamide Traditional Name: 6-bromo-2-keto-8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)chromene-3-carboxamide Formula: C18H22BrN2O5+ MolecularWeight: 426.28168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H21BrN2O5/c1-24-15-11-13(19)9-12-10-14(18(23)26-16(12)15)17(22)20-3-2-4-21-5-7-25-8-6-21/h9-11H,2-8H2,1H3,(H,20,22)/p+1