ethyl 1,2-dimethyl-5-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C20H29N2O5+ MolecularWeight: 377.45466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CCOCC3)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](C[NH+]3CCOCC3)O)C)C

InChI

InChI=1S/C20H28N2O5/c1-4-26-20(24)19-14(2)21(3)18-6-5-16(11-17(18)19)27-13-15(23)12-22-7-9-25-10-8-22/h5-6,11,15,23H,4,7-10,12-13H2,1-3H3/p+1/t15-/m0/s1