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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2/c1-32-22-13-11-21(12-14-22)29-15-17-30(18-16-29)26(20-7-3-2-4-8-20)27(31)24-19-28-25-10-6-5-9-23(24)25/h2-14,19,26,28H,15-18H2,1H3/p+1/t26-/m1/s1