(E)-2-carboxyethyl-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]azanium

Systemtic Name: (E)-2-carboxyethyl-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]azanium Openeye Name: (E)-2-carboxyethyl-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ammonium CAS Name: (E)-2-carboxyethyl-[2-(3,4-dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]ammonium IUPAC Name: (E)-2-carboxyethyl-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]azanium Traditional Name: (E)-2-carboxyethyl-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ammonium Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=[NH+]CCC(=O)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC\2=C(C=C1)OC(=C/C2=[NH+]\CCC(=O)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21NO5/c1-13-4-6-17-15(10-13)16(22-9-8-21(23)24)12-19(27-17)14-5-7-18(25-2)20(11-14)26-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)/p+1/b22-16+