(2S)-1-(1H-indol-3-yl)-2-(4-phenylmethoxypiperidin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(1H-indol-3-yl)-2-(4-phenylmethoxypiperidin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(4-benzyloxypiperidin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one CAS Name: (2S)-1-(1H-indol-3-yl)-2-(4-phenylmethoxy-1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(1H-indol-3-yl)-2-(4-phenylmethoxypiperidin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(4-benzoxypiperidin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCC(CC3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCC(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O2/c1-17(23(26)21-15-24-22-10-6-5-9-20(21)22)25-13-11-19(12-14-25)27-16-18-7-3-2-4-8-18/h2-10,15,17,19,24H,11-14,16H2,1H3/p+1/t17-/m0/s1