cyclohexyl-[2-oxidanyl-3-[(3,4,5-triethoxyphenyl)carbonylamino]chromen-4-ylidene]azanium

Systemtic Name: cyclohexyl-[2-oxidanyl-3-[(3,4,5-triethoxyphenyl)carbonylamino]chromen-4-ylidene]azanium Openeye Name: cyclohexyl-[2-hydroxy-3-[(3,4,5-triethoxybenzoyl)amino]chromen-4-ylidene]ammonium CAS Name: cyclohexyl-[2-hydroxy-3-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-1-benzopyran-4-ylidene]ammonium IUPAC Name: cyclohexyl-[2-hydroxy-3-[(3,4,5-triethoxybenzoyl)amino]chromen-4-ylidene]azanium Traditional Name: cyclohexyl-[2-hydroxy-3-[(3,4,5-triethoxybenzoyl)amino]chromen-4-ylidene]ammonium Formula: C28H35N2O6+ MolecularWeight: 495.5873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCCC4)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCCC4)O

InChI

InChI=1S/C28H34N2O6/c1-4-33-22-16-18(17-23(34-5-2)26(22)35-6-3)27(31)30-25-24(29-19-12-8-7-9-13-19)20-14-10-11-15-21(20)36-28(25)32/h10-11,14-17,19,32H,4-9,12-13H2,1-3H3,(H,30,31)/p+1