3-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]propionate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)CCC(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)CCC(=O)[O-]

InChI

InChI=1S/C16H20N4O2/c1-12-16(18-14-5-3-2-4-13(14)17-12)20-10-8-19(9-11-20)7-6-15(21)22/h2-5H,6-11H2,1H3,(H,21,22)