8-[[(3,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate

Systemtic Name: 8-[[(3,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-8-[[(3,4-dimethoxyphenyl)methylammonio]methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 8-[[(3,4-dimethoxyphenyl)methylammonio]methyl]-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-8-[[(3,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 3-benzyl-2-keto-4-methyl-8-[(veratrylammonio)methyl]chromen-7-olate Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC3=CC(=C(C=C3)OC)OC)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC3=CC(=C(C=C3)OC)OC)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C27H27NO5/c1-17-20-10-11-23(29)22(16-28-15-19-9-12-24(31-2)25(14-19)32-3)26(20)33-27(30)21(17)13-18-7-5-4-6-8-18/h4-12,14,28-29H,13,15-16H2,1-3H3