3-[4-[(3-methylphenyl)methyl]-3-oxidanylidene-2H-quinoxalin-4-ium-2-yl]propanoic acid

Systemtic Name: 3-[4-[(3-methylphenyl)methyl]-3-oxidanylidene-2H-quinoxalin-4-ium-2-yl]propanoic acid Openeye Name: 3-[4-(m-tolylmethyl)-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid CAS Name: 3-[4-[(3-methylphenyl)methyl]-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid IUPAC Name: 3-[4-[(3-methylphenyl)methyl]-3-oxo-2H-quinoxalin-4-ium-2-yl]propanoic acid Traditional Name: 3-[3-keto-4-(3-methylbenzyl)-2H-quinoxalin-4-ium-2-yl]propionic acid Formula: C19H19N2O3+ MolecularWeight: 323.36576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[N+]2=C3C=CC=CC3=NC(C2=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2=C3C=CC=CC3=NC(C2=O)CCC(=O)O

InChI

InChI=1S/C19H18N2O3/c1-13-5-4-6-14(11-13)12-21-17-8-3-2-7-15(17)20-16(19(21)24)9-10-18(22)23/h2-8,11,16H,9-10,12H2,1H3/p+1