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

Systemtic Name: (2S)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one Formula: C28H30N3O+ MolecularWeight: 424.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O/c1-21(28(32)25-20-29-26-15-9-8-14-24(25)26)30-16-18-31(19-17-30)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20-21,27,29H,16-19H2,1H3/p+1/t21-/m0/s1