[3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-propyl-azanium

Systemtic Name: [3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-propyl-azanium Openeye Name: [3-[(3-bromo-4-methoxy-benzoyl)amino]-2-hydroxy-chromen-4-ylidene]-propyl-ammonium CAS Name: [3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-propylammonium IUPAC Name: [3-[(3-bromo-4-methoxybenzoyl)amino]-2-hydroxychromen-4-ylidene]-propylazanium Traditional Name: [3-[(3-bromo-4-methoxy-benzoyl)amino]-2-hydroxy-chromen-4-ylidene]-propyl-ammonium Formula: C20H20BrN2O4+ MolecularWeight: 432.2878

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]=C1C2=CC=CC=C2OC(=C1NC(=O)C3=CC(=C(C=C3)OC)Br)O

Isomeric SMILES

CCC[NH+]=C1C2=CC=CC=C2OC(=C1NC(=O)C3=CC(=C(C=C3)OC)Br)O

InChI

InChI=1S/C20H19BrN2O4/c1-3-10-22-17-13-6-4-5-7-15(13)27-20(25)18(17)23-19(24)12-8-9-16(26-2)14(21)11-12/h4-9,11,25H,3,10H2,1-2H3,(H,23,24)/p+1