2-(3,4-dimethoxyphenyl)ethyl-[[(3R)-oxolan-3-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[(3R)-oxolan-3-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-(4-pyridylmethyl)-[[(3R)-tetrahydrofuran-3-yl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[(3R)-3-oxolanyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[(3R)-oxolan-3-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: homoveratryl-(4-pyridylmethyl)-[[(3R)-tetrahydrofuran-3-yl]methyl]ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+](CC2CCOC2)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+](C[C@H]2CCOC2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C21H28N2O3/c1-24-20-4-3-17(13-21(20)25-2)7-11-23(15-19-8-12-26-16-19)14-18-5-9-22-10-6-18/h3-6,9-10,13,19H,7-8,11-12,14-16H2,1-2H3/p+1/t19-/m1/s1