(2S)-2-(6-chloranyl-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(6-chloranyl-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(6-chloro-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(6-chloro-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(6-chloro-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(6-chloro-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolyl)piperazin-1-ium-1-yl]acetate Formula: C24H23ClN4O2 MolecularWeight: 434.91802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O2/c1-15-12-22(27-20-5-3-2-4-17(15)20)28-8-10-29(11-9-28)23(24(30)31)19-14-26-21-13-16(25)6-7-18(19)21/h2-7,12-14,23,26H,8-11H2,1H3,(H,30,31)/t23-/m0/s1