(2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C(C4=CNC5=C4C=CC=C5OC)C(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)[C@@H](C4=CNC5=C4C=CC=C5OC)C(=O)[O-]

InChI

InChI=1S/C24H25N5O3/c1-15-23(27-19-8-4-3-7-18(19)26-15)29-12-10-28(11-13-29)22(24(30)31)17-14-25-21-16(17)6-5-9-20(21)32-2/h3-9,14,22,25H,10-13H2,1-2H3,(H,30,31)/t22-/m0/s1