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

Systemtic Name: (2S)-2-(1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C(C4=CNC5=CC=CC=C54)C(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)[C@@H](C4=CNC5=CC=CC=C54)C(=O)[O-]

InChI

InChI=1S/C23H23N5O2/c1-15-22(26-20-9-5-4-8-19(20)25-15)28-12-10-27(11-13-28)21(23(29)30)17-14-24-18-7-3-2-6-16(17)18/h2-9,14,21,24H,10-13H2,1H3,(H,29,30)/t21-/m0/s1