ethyl 1-[(2S)-2-(5-methoxy-1H-indol-3-yl)-2-oxidanyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(5-methoxy-1H-indol-3-yl)-2-oxidanyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(C2=CNC3=C2C=C(C=C3)OC)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](C2=CNC3=C2C=C(C=C3)OC)O

InChI

InChI=1S/C19H26N2O4/c1-3-25-19(23)13-6-8-21(9-7-13)12-18(22)16-11-20-17-5-4-14(24-2)10-15(16)17/h4-5,10-11,13,18,20,22H,3,6-9,12H2,1-2H3/p+1/t18-/m1/s1