7-chloranyl-4-oxidanyl-1-(phenylmethyl)quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-chloranyl-4-oxidanyl-1-(phenylmethyl)quinolin-1-ium-3-carboxylic acid Openeye Name: 1-benzyl-7-chloro-4-hydroxy-quinolin-1-ium-3-carboxylic acid CAS Name: 7-chloro-4-hydroxy-1-(phenylmethyl)-3-quinolin-1-iumcarboxylic acid IUPAC Name: 1-benzyl-7-chloro-4-hydroxyquinolin-1-ium-3-carboxylic acid Traditional Name: 1-benzyl-7-chloro-4-hydroxy-quinolin-1-ium-3-carboxylic acid Formula: C17H13ClNO3+ MolecularWeight: 314.74302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3C=C(C=CC3=C(C(=C2)C(=O)O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C=C(C=CC3=C(C(=C2)C(=O)O)O)Cl

InChI

InChI=1S/C17H12ClNO3/c18-12-6-7-13-15(8-12)19(9-11-4-2-1-3-5-11)10-14(16(13)20)17(21)22/h1-8,10H,9H2,(H,21,22)/p+1