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

Systemtic Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolyl)piperazin-1-ium-1-yl]acetate Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3CC[NH+](CC3)C(C4=CNC5=C4C=CC=C5OC)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3CC[NH+](CC3)[C@@H](C4=CNC5=C4C=CC=C5OC)C(=O)[O-]

InChI

InChI=1S/C25H26N4O3/c1-16-14-22(27-20-8-4-3-6-17(16)20)28-10-12-29(13-11-28)24(25(30)31)19-15-26-23-18(19)7-5-9-21(23)32-2/h3-9,14-15,24,26H,10-13H2,1-2H3,(H,30,31)/t24-/m0/s1