[2-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-4H-chromen-3-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [2-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-4H-chromen-3-yl]methyl-dimethyl-azanium chloride Openeye Name: [4-benzyl-2-(3,4-dimethoxyphenyl)-4H-chromen-3-yl]methyl-dimethyl-ammonium chloride CAS Name: [2-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-4H-1-benzopyran-3-yl]methyl-dimethylammonium chloride IUPAC Name: [4-benzyl-2-(3,4-dimethoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium chloride Traditional Name: [4-benzyl-2-(3,4-dimethoxyphenyl)-4H-chromen-3-yl]methyl-dimethyl-ammonium chloride Formula: C27H30ClNO3 MolecularWeight: 451.985

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(OC2=CC=CC=C2C1CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(OC2=CC=CC=C2C1CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC.[Cl-]

InChI

InChI=1S/C27H29NO3.ClH/c1-28(2)18-23-22(16-19-10-6-5-7-11-19)21-12-8-9-13-24(21)31-27(23)20-14-15-25(29-3)26(17-20)30-4;/h5-15,17,22H,16,18H2,1-4H3;1H