(2S)-1-(1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanone

Systemtic Name: (2S)-1-(1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanone Openeye Name: (2S)-1-(1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanone CAS Name: (2S)-1-(1H-indol-3-yl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-phenylethanone IUPAC Name: (2S)-1-(1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenylethanone Traditional Name: (2S)-1-(1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanone Formula: C27H28N3O2+ MolecularWeight: 426.53012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H27N3O2/c1-32-22-11-7-10-21(18-22)29-14-16-30(17-15-29)26(20-8-3-2-4-9-20)27(31)24-19-28-25-13-6-5-12-23(24)25/h2-13,18-19,26,28H,14-17H2,1H3/p+1/t26-/m0/s1