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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)C4=NC5=CC=CC=C5N=C4C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=NC5=CC=CC=C5N=C4C

InChI

InChI=1S/C24H25N5O2/c1-15-21(17-7-3-4-8-18(17)25-15)22(24(30)31)28-11-13-29(14-12-28)23-16(2)26-19-9-5-6-10-20(19)27-23/h3-10,22,25H,11-14H2,1-2H3,(H,30,31)/t22-/m0/s1