[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl]oxy-2-oxo-ethyl]ammonium CAS Name: [2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-2-oxoethyl]ammonium IUPAC Name: [2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-2-oxoethyl]azanium Traditional Name: [2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl]oxy-2-keto-ethyl]ammonium Formula: C21H20NO6+ MolecularWeight: 382.3866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C[NH3+])C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C[NH3+])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H19NO6/c1-12-20(13-3-6-16-18(9-13)26-8-2-7-25-16)21(24)15-5-4-14(10-17(15)27-12)28-19(23)11-22/h3-6,9-10H,2,7-8,11,22H2,1H3/p+1