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

Systemtic Name: [1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxy-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl]oxy-1-methyl-2-oxo-ethyl]ammonium CAS Name: [1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxopropan-2-yl]ammonium IUPAC Name: [1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl]azanium Traditional Name: [2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl]oxy-2-keto-1-methyl-ethyl]ammonium Formula: C22H22NO6+ MolecularWeight: 396.41318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-12(23)22(25)29-15-5-6-16-18(11-15)28-13(2)20(21(16)24)14-4-7-17-19(10-14)27-9-3-8-26-17/h4-7,10-12H,3,8-9,23H2,1-2H3/p+1