(3S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-3-(4-methoxyphenyl)propan-1-ol

Systemtic Name: (3S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-3-(4-methoxyphenyl)propan-1-ol Openeye Name: (3S)-3-isoindolin-2-ium-2-yl-3-(4-methoxyphenyl)propan-1-ol CAS Name: (3S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-3-(4-methoxyphenyl)-1-propanol IUPAC Name: (3S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-3-(4-methoxyphenyl)propan-1-ol Traditional Name: (3S)-3-isoindolin-2-ium-2-yl-3-(4-methoxyphenyl)propan-1-ol Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCO)[NH+]2CC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CCO)[NH+]2CC3=CC=CC=C3C2

InChI

InChI=1S/C18H21NO2/c1-21-17-8-6-14(7-9-17)18(10-11-20)19-12-15-4-2-3-5-16(15)13-19/h2-9,18,20H,10-13H2,1H3/p+1/t18-/m0/s1