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

Systemtic Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Formula: C21H24N3O2+ MolecularWeight: 350.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-15(21(26)19-14-22-20-5-3-2-4-18(19)20)23-10-12-24(13-11-23)16-6-8-17(25)9-7-16/h2-9,14-15,22,25H,10-13H2,1H3/p+1/t15-/m1/s1