2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-oxidanyl-3-[(5-oxidanylidene-4aH-naphthalen-1-yl)oxy]propyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-oxidanyl-3-[(5-oxidanylidene-4aH-naphthalen-1-yl)oxy]propyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-3-[(5-oxo-4aH-naphthalen-1-yl)oxy]propyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-3-[(5-oxo-4aH-naphthalen-1-yl)oxy]propyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-3-[(5-oxo-4aH-naphthalen-1-yl)oxy]propyl]azanium Traditional Name: homoveratryl-[(2S)-2-hydroxy-3-[(5-keto-4aH-naphthalen-1-yl)oxy]propyl]ammonium Formula: C23H28NO5+ MolecularWeight: 398.47212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC(COC2=CC=CC3C2=CC=CC3=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]C[C@@H](COC2=CC=CC3C2=CC=CC3=O)O)OC

InChI

InChI=1S/C23H27NO5/c1-27-22-10-9-16(13-23(22)28-2)11-12-24-14-17(25)15-29-21-8-4-5-18-19(21)6-3-7-20(18)26/h3-10,13,17-18,24-25H,11-12,14-15H2,1-2H3/p+1/t17-,18?/m0/s1