(2R)-2-(5-bromanyl-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(5-bromanyl-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate Formula: C17H19BrN4O2 MolecularWeight: 391.26236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O2/c18-12-2-3-15-13(10-12)14(11-20-15)16(17(23)24)22-8-6-21(7-9-22)5-1-4-19/h2-3,10-11,16,20H,1,5-9H2,(H,23,24)/t16-/m1/s1