[6-azaniumyl-1-oxidanylidene-1-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-hexan-2-yl]azanium

Systemtic Name: [6-azaniumyl-1-oxidanylidene-1-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-hexan-2-yl]azanium Openeye Name: [5-azaniumyl-6-oxo-6-(4-oxo-3-phenoxy-chromen-7-yl)oxy-hexyl]ammonium CAS Name: [6-ammonio-1-oxo-1-[(4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]hexan-2-yl]ammonium IUPAC Name: [6-azaniumyl-1-oxo-1-(4-oxo-3-phenoxychromen-7-yl)oxyhexan-2-yl]azanium Traditional Name: [5-ammonio-6-keto-6-(4-keto-3-phenoxy-chromen-7-yl)oxy-hexyl]ammonium Formula: C21H24N2O5+2 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C(CCCC[NH3+])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C(CCCC[NH3+])[NH3+]

InChI

InChI=1S/C21H22N2O5/c22-11-5-4-8-17(23)21(25)28-15-9-10-16-18(12-15)26-13-19(20(16)24)27-14-6-2-1-3-7-14/h1-3,6-7,9-10,12-13,17H,4-5,8,11,22-23H2/p+2