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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-homoveratryl-ammonium Formula: C21H23ClNO4+ MolecularWeight: 388.86462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C21H22ClNO4/c1-13-8-19-16(11-17(13)22)15(10-21(24)27-19)12-23-7-6-14-4-5-18(25-2)20(9-14)26-3/h4-5,8-11,23H,6-7,12H2,1-3H3/p+1