(2R)-2-(6-bromanyl-1H-indol-3-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(6-bromanyl-1H-indol-3-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-2-(6-bromo-1H-indol-3-yl)acetate CAS Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-2-(6-bromo-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-2-(6-bromo-1H-indol-3-yl)acetate Formula: C27H26BrN3O2 MolecularWeight: 504.41824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26BrN3O2/c28-21-11-12-22-23(18-29-24(22)17-21)26(27(32)33)31-15-13-30(14-16-31)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,25-26,29H,13-16H2,(H,32,33)/t26-/m1/s1