(2S)-1-(1H-indol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(1H-indol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c1-16(21(26)19-15-23-20-10-6-5-9-18(19)20)24-11-13-25(14-12-24)22(27)17-7-3-2-4-8-17/h2-10,15-16,23H,11-14H2,1H3/p+1/t16-/m0/s1