[3-[(2-bromophenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclohexyl-azanium

Systemtic Name: [3-[(2-bromophenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclohexyl-azanium Openeye Name: [3-[(2-bromobenzoyl)amino]-2-hydroxy-chromen-4-ylidene]-cyclohexyl-ammonium CAS Name: [3-[[(2-bromophenyl)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclohexylammonium IUPAC Name: [3-[(2-bromobenzoyl)amino]-2-hydroxychromen-4-ylidene]-cyclohexylazanium Traditional Name: [3-[(2-bromobenzoyl)amino]-2-hydroxy-chromen-4-ylidene]-cyclohexyl-ammonium Formula: C22H22BrN2O3+ MolecularWeight: 442.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)C4=CC=CC=C4Br)O

Isomeric SMILES

C1CCC(CC1)[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)C4=CC=CC=C4Br)O

InChI

InChI=1S/C22H21BrN2O3/c23-17-12-6-4-10-15(17)21(26)25-20-19(24-14-8-2-1-3-9-14)16-11-5-7-13-18(16)28-22(20)27/h4-7,10-14,27H,1-3,8-9H2,(H,25,26)/p+1