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

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H20ClN3O2/c21-14-4-3-5-15(12-14)23-8-10-24(11-9-23)19(20(25)26)17-13-22-18-7-2-1-6-16(17)18/h1-7,12-13,19,22H,8-11H2,(H,25,26)/t19-/m1/s1