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

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Formula: C24H25N5O3 MolecularWeight: 431.487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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