ethyl 2-methyl-5-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C27H35N2O4+ MolecularWeight: 451.5778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CCCCC3)O)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@@H](C[NH+]3CCCCC3)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H34N2O4/c1-3-32-27(31)26-20(2)29(17-21-10-6-4-7-11-21)25-13-12-23(16-24(25)26)33-19-22(30)18-28-14-8-5-9-15-28/h4,6-7,10-13,16,22,30H,3,5,8-9,14-15,17-19H2,1-2H3/p+1/t22-/m1/s1