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

Systemtic Name: (2S)-2-(5-bromanyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Formula: C23H22BrN5O2 MolecularWeight: 480.35708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)[C@@H](C4=CNC5=C4C=C(C=C5)Br)C(=O)[O-]

InChI

InChI=1S/C23H22BrN5O2/c1-14-22(27-20-5-3-2-4-19(20)26-14)29-10-8-28(9-11-29)21(23(30)31)17-13-25-18-7-6-15(24)12-16(17)18/h2-7,12-13,21,25H,8-11H2,1H3,(H,30,31)/t21-/m0/s1