(6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: (6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium Openeye Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl-[(2,4-dimethoxyphenyl)methyl]ammonium CAS Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl-[(2,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium Traditional Name: (6-chloro-7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl-(2,4-dimethoxybenzyl)ammonium Formula: C21H23ClNO5+ MolecularWeight: 404.86402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5/c1-11-12(2)21(25)28-20-15(11)8-17(22)19(24)16(20)10-23-9-13-5-6-14(26-3)7-18(13)27-4/h5-8,23-24H,9-10H2,1-4H3/p+1