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

Systemtic Name: 6-bromanyl-8-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 6-bromo-8-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-chromene-3-carboxamide CAS Name: 6-bromo-8-methoxy-N-[2-(4-morpholin-4-iumyl)ethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-8-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-2-oxochromene-3-carboxamide Traditional Name: 6-bromo-2-keto-8-methoxy-N-(2-morpholin-4-ium-4-ylethyl)chromene-3-carboxamide Formula: C17H20BrN2O5+ MolecularWeight: 412.2551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O5/c1-23-14-10-12(18)8-11-9-13(17(22)25-15(11)14)16(21)19-2-3-20-4-6-24-7-5-20/h8-10H,2-7H2,1H3,(H,19,21)/p+1