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

Systemtic Name: (2S)-2-(5-acetamido-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-acetamido-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-acetamido-1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-acetamido-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-acetamido-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Formula: C25H26N6O3 MolecularWeight: 458.51234

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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)NC(=O)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O3/c1-15-24(29-22-6-4-3-5-21(22)27-15)31-11-9-30(10-12-31)23(25(33)34)19-14-26-20-8-7-17(13-18(19)20)28-16(2)32/h3-8,13-14,23,26H,9-12H2,1-2H3,(H,28,32)(H,33,34)/t23-/m0/s1