(2S,3S)-1-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-methyl-2-phenyl-piperidin-1-ium-4-one

Systemtic Name: (2S,3S)-1-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-methyl-2-phenyl-piperidin-1-ium-4-one Openeye Name: (2S,3S)-1-[2-(1H-indol-3-yl)-2-oxo-ethyl]-3-methyl-2-phenyl-piperidin-1-ium-4-one CAS Name: (2S,3S)-1-[2-(1H-indol-3-yl)-2-oxoethyl]-3-methyl-2-phenyl-4-piperidin-1-iumone IUPAC Name: (2S,3S)-1-[2-(1H-indol-3-yl)-2-oxoethyl]-3-methyl-2-phenylpiperidin-1-ium-4-one Traditional Name: (2S,3S)-1-[2-(1H-indol-3-yl)-2-keto-ethyl]-3-methyl-2-phenyl-piperidin-1-ium-4-one Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1=O)CC(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1[C@H]([NH+](CCC1=O)CC(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2/c1-15-20(25)11-12-24(22(15)16-7-3-2-4-8-16)14-21(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,22-23H,11-12,14H2,1H3/p+1/t15-,22+/m1/s1