1,3-benzodioxol-5-ylmethyl-[[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[6-chloro-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl]azanium Traditional Name: [6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-piperonyl-ammonium Formula: C22H21ClNO7+ MolecularWeight: 446.85764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CC3=CC4=C(C=C3)OCO4)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CC3=CC4=C(C=C3)OCO4)CC(=O)OC

InChI

InChI=1S/C22H20ClNO7/c1-11-13-6-16(23)20(26)15(21(13)31-22(27)14(11)7-19(25)28-2)9-24-8-12-3-4-17-18(5-12)30-10-29-17/h3-6,24,26H,7-10H2,1-2H3/p+1