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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolyl)piperazin-1-ium-1-yl]acetate Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3CC[NH+](CC3)C(C4=C(NC5=CC=CC=C54)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3CC[NH+](CC3)[C@@H](C4=C(NC5=CC=CC=C54)C)C(=O)[O-]

InChI

InChI=1S/C25H26N4O2/c1-16-15-22(27-20-9-5-3-7-18(16)20)28-11-13-29(14-12-28)24(25(30)31)23-17(2)26-21-10-6-4-8-19(21)23/h3-10,15,24,26H,11-14H2,1-2H3,(H,30,31)/t24-/m0/s1