5-aminocarbonyl-1-(phenylmethyl)quinolin-1-ium-4-carboxylate

Systemtic Name: 5-aminocarbonyl-1-(phenylmethyl)quinolin-1-ium-4-carboxylate Openeye Name: 1-benzyl-5-carbamoyl-quinolin-1-ium-4-carboxylate CAS Name: 5-carbamoyl-1-(phenylmethyl)-4-quinolin-1-iumcarboxylate IUPAC Name: 1-benzyl-5-carbamoylquinolin-1-ium-4-carboxylate Traditional Name: 1-benzyl-5-carbamoyl-quinolin-1-ium-4-carboxylate Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C3=C(C=CC=C32)C(=O)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C3=C(C=CC=C32)C(=O)N)C(=O)[O-]

InChI

InChI=1S/C18H14N2O3/c19-17(21)13-7-4-8-15-16(13)14(18(22)23)9-10-20(15)11-12-5-2-1-3-6-12/h1-10H,11H2,(H2-,19,21,22,23)