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

Systemtic Name: [3-[(4-tert-butylphenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclohexyl-azanium Openeye Name: [3-[(4-tert-butylbenzoyl)amino]-2-hydroxy-chromen-4-ylidene]-cyclohexyl-ammonium CAS Name: [3-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclohexylammonium IUPAC Name: [3-[(4-tert-butylbenzoyl)amino]-2-hydroxychromen-4-ylidene]-cyclohexylazanium Traditional Name: [3-[(4-tert-butylbenzoyl)amino]-2-hydroxy-chromen-4-ylidene]-cyclohexyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCCC4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCCC4)O

InChI

InChI=1S/C26H30N2O3/c1-26(2,3)18-15-13-17(14-16-18)24(29)28-23-22(27-19-9-5-4-6-10-19)20-11-7-8-12-21(20)31-25(23)30/h7-8,11-16,19,30H,4-6,9-10H2,1-3H3,(H,28,29)/p+1