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

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(1H-indol-3-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H26N3O+ MolecularWeight: 348.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O/c1-16-7-3-6-10-21(16)25-13-11-24(12-14-25)17(2)22(26)19-15-23-20-9-5-4-8-18(19)20/h3-10,15,17,23H,11-14H2,1-2H3/p+1/t17-/m1/s1