2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-(furan-2-yl)-2-oxidanyl-ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-(furan-2-yl)-2-oxidanyl-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-(2-furyl)-2-hydroxy-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-(2-furanyl)-2-hydroxyethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azanium Traditional Name: [(2S)-2-(2-furyl)-2-hydroxy-ethyl]-homoveratryl-ammonium Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC(C2=CC=CO2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]C[C@@H](C2=CC=CO2)O)OC

InChI

InChI=1S/C16H21NO4/c1-19-15-6-5-12(10-16(15)20-2)7-8-17-11-13(18)14-4-3-9-21-14/h3-6,9-10,13,17-18H,7-8,11H2,1-2H3/p+1/t13-/m0/s1