methyl 2-[5-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-1H-indol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-1H-indol-3-yl]ethanoate Openeye Name: methyl 2-[5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-1H-indol-3-yl]acetate CAS Name: 2-[5-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-1H-indol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-1H-indol-3-yl]acetate Traditional Name: 2-[5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-1H-indol-3-yl]acetic acid methyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CNC2=C1C=C(C=C2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

COC(=O)CC1=CNC2=C1C=C(C=C2)OC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C18H24N2O5/c1-23-18(22)8-13-10-19-17-3-2-15(9-16(13)17)25-12-14(21)11-20-4-6-24-7-5-20/h2-3,9-10,14,19,21H,4-8,11-12H2,1H3/p+1/t14-/m0/s1