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

Systemtic Name: ethyl 2-methyl-5-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C26H33N2O5+ MolecularWeight: 453.55062

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](C[NH+]3CCOCC3)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H32N2O5/c1-3-32-26(30)25-19(2)28(16-20-7-5-4-6-8-20)24-10-9-22(15-23(24)25)33-18-21(29)17-27-11-13-31-14-12-27/h4-10,15,21,29H,3,11-14,16-18H2,1-2H3/p+1/t21-/m0/s1