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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-oxidanyl-2-pyridin-2-yl-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-2-(2-pyridyl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-2-(2-pyridinyl)ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]azanium Traditional Name: homoveratryl-[(2S)-2-hydroxy-2-(2-pyridyl)ethyl]ammonium Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC(C2=CC=CC=N2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]C[C@@H](C2=CC=CC=N2)O)OC

InChI

InChI=1S/C17H22N2O3/c1-21-16-7-6-13(11-17(16)22-2)8-10-18-12-15(20)14-5-3-4-9-19-14/h3-7,9,11,15,18,20H,8,10,12H2,1-2H3/p+1/t15-/m0/s1