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

Systemtic Name: (2R)-2-(4-chloranyl-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-chloro-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chloro-1H-indol-3-yl)-2-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-chloro-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chloro-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C(=CC=C3)Cl)C(=O)[O-])CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2/c18-13-3-1-4-14-15(13)12(11-20-14)16(17(23)24)22-9-7-21(8-10-22)6-2-5-19/h1,3-4,11,16,20H,2,6-10H2,(H,23,24)/t16-/m1/s1