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

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-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=C(C=C5)OC)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3CC[NH+](CC3)[C@@H](C4=CNC5=C4C=C(C=C5)OC)C(=O)[O-]

InChI

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