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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl]azanium Openeye Name: (3-benzyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-[(3,4-dimethoxyphenyl)methyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[[7-hydroxy-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: (3-benzyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: (3-benzyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-veratryl-ammonium Formula: C27H28NO5+ MolecularWeight: 446.51492

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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/p+1