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

Systemtic Name: (2R)-2-(6-bromanyl-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetate Formula: C20H19BrClN3O2 MolecularWeight: 448.74076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrClN3O2/c21-13-4-5-16-17(12-23-18(16)10-13)19(20(26)27)25-8-6-24(7-9-25)15-3-1-2-14(22)11-15/h1-5,10-12,19,23H,6-9H2,(H,26,27)/t19-/m1/s1