(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C22H23ClNO4+ MolecularWeight: 400.87532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C22H22ClNO4/c1-3-15-9-20-17(11-18(15)23)16(10-22(25)28-20)13-24(2)12-14-4-5-19-21(8-14)27-7-6-26-19/h4-5,8-11H,3,6-7,12-13H2,1-2H3/p+1