2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(4,8-dimethyl-2-oxo-chromen-7-yl)oxy-2-hydroxy-propyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-[(4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-2-hydroxypropyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(4,8-dimethyl-2-oxochromen-7-yl)oxy-2-hydroxypropyl]azanium Traditional Name: homoveratryl-[(2S)-2-hydroxy-3-(2-keto-4,8-dimethyl-chromen-7-yl)oxy-propyl]ammonium Formula: C24H30NO6+ MolecularWeight: 428.4981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(C[NH2+]CCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC[C@H](C[NH2+]CCC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C24H29NO6/c1-15-11-23(27)31-24-16(2)20(8-6-19(15)24)30-14-18(26)13-25-10-9-17-5-7-21(28-3)22(12-17)29-4/h5-8,11-12,18,25-26H,9-10,13-14H2,1-4H3/p+1/t18-/m0/s1