3-[3-[(2S,5R)-5-(3,4-dimethoxyphenyl)oxolan-2-yl]oxypropyl]-1-methyl-pyridin-1-ium

Systemtic Name: 3-[3-[(2S,5R)-5-(3,4-dimethoxyphenyl)oxolan-2-yl]oxypropyl]-1-methyl-pyridin-1-ium Openeye Name: 3-[3-[(2S,5R)-5-(3,4-dimethoxyphenyl)tetrahydrofuran-2-yl]oxypropyl]-1-methyl-pyridin-1-ium CAS Name: 3-[3-[[(2S,5R)-5-(3,4-dimethoxyphenyl)-2-oxolanyl]oxy]propyl]-1-methylpyridin-1-ium IUPAC Name: 3-[3-[(2S,5R)-5-(3,4-dimethoxyphenyl)oxolan-2-yl]oxypropyl]-1-methylpyridin-1-ium Traditional Name: 3-[3-[(2S,5R)-5-(3,4-dimethoxyphenyl)tetrahydrofuran-2-yl]oxypropyl]-1-methyl-pyridin-1-ium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CCCOC2CCC(O2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)CCCO[C@@H]2CC[C@@H](O2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H28NO4/c1-22-12-4-6-16(15-22)7-5-13-25-21-11-10-18(26-21)17-8-9-19(23-2)20(14-17)24-3/h4,6,8-9,12,14-15,18,21H,5,7,10-11,13H2,1-3H3/q+1/t18-,21+/m1/s1