methyl 2-[5-[(2S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-2-oxidanyl-propoxy]-1H-indol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[(2S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-2-oxidanyl-propoxy]-1H-indol-3-yl]ethanoate Openeye Name: methyl 2-[5-[(2S)-2-hydroxy-3-isoindolin-2-ium-2-yl-propoxy]-1H-indol-3-yl]acetate CAS Name: 2-[5-[(2S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-2-hydroxypropoxy]-1H-indol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(2S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-2-hydroxypropoxy]-1H-indol-3-yl]acetate Traditional Name: 2-[5-[(2S)-2-hydroxy-3-isoindolin-2-ium-2-yl-propoxy]-1H-indol-3-yl]acetic acid methyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CNC2=C1C=C(C=C2)OCC(C[NH+]3CC4=CC=CC=C4C3)O

Isomeric SMILES

COC(=O)CC1=CNC2=C1C=C(C=C2)OC[C@H](C[NH+]3CC4=CC=CC=C4C3)O

InChI

InChI=1S/C22H24N2O4/c1-27-22(26)8-17-10-23-21-7-6-19(9-20(17)21)28-14-18(25)13-24-11-15-4-2-3-5-16(15)12-24/h2-7,9-10,18,23,25H,8,11-14H2,1H3/p+1/t18-/m0/s1