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

Systemtic Name: ethyl 4-[(2S)-2-(1H-indol-3-yl)-2-oxidanyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(C2=CNC3=CC=CC=C32)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](C2=CNC3=CC=CC=C32)O

InChI

InChI=1S/C17H23N3O3/c1-2-23-17(22)20-9-7-19(8-10-20)12-16(21)14-11-18-15-6-4-3-5-13(14)15/h3-6,11,16,18,21H,2,7-10,12H2,1H3/p+1/t16-/m1/s1