6-(bromomethyl)-2-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)chromene-3,4-diol

Systemtic Name: 6-(bromomethyl)-2-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)chromene-3,4-diol Openeye Name: 6-(bromomethyl)-2-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)chromene-3,4-diol CAS Name: 6-(bromomethyl)-2-[4-(4-morpholin-4-iumylidene)-1-cyclohexa-2,5-dienylidene]-1-benzopyran-3,4-diol IUPAC Name: 6-(bromomethyl)-2-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)chromene-3,4-diol Traditional Name: 6-(bromomethyl)-2-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)chromene-3,4-diol Formula: C20H19BrNO4+ MolecularWeight: 417.27316

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C2C=CC(=C3C(=C(C4=C(O3)C=CC(=C4)CBr)O)O)C=C2

Isomeric SMILES

C1COCC[N+]1=C2C=CC(=C3C(=C(C4=C(O3)C=CC(=C4)CBr)O)O)C=C2

InChI

InChI=1S/C20H18BrNO4/c21-12-13-1-6-17-16(11-13)18(23)19(24)20(26-17)14-2-4-15(5-3-14)22-7-9-25-10-8-22/h1-6,11,24H,7-10,12H2/p+1