1-[2-[[4-(2-acetamidoethyl)phenyl]amino]-2-oxidanylidene-ethylidene]-5,7-bis(chloranyl)-3,4-dihydro-2H-quinolin-1-ium-2-carboxylic acid

Systemtic Name: 1-[2-[[4-(2-acetamidoethyl)phenyl]amino]-2-oxidanylidene-ethylidene]-5,7-bis(chloranyl)-3,4-dihydro-2H-quinolin-1-ium-2-carboxylic acid Openeye Name: 1-[2-[4-(2-acetamidoethyl)anilino]-2-oxo-ethylidene]-5,7-dichloro-3,4-dihydro-2H-quinolin-1-ium-2-carboxylic acid CAS Name: 1-[2-[4-(2-acetamidoethyl)anilino]-2-oxoethylidene]-5,7-dichloro-3,4-dihydro-2H-quinolin-1-ium-2-carboxylic acid IUPAC Name: 1-[2-[4-(2-acetamidoethyl)anilino]-2-oxoethylidene]-5,7-dichloro-3,4-dihydro-2H-quinolin-1-ium-2-carboxylic acid Traditional Name: 1-[2-[4-(2-acetamidoethyl)anilino]-2-keto-ethylidene]-5,7-dichloro-3,4-dihydro-2H-quinolin-1-ium-2-carboxylic acid Formula: C22H22Cl2N3O4+ MolecularWeight: 463.33378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)NC(=O)C=[N+]2C(CCC3=C(C=C(C=C32)Cl)Cl)C(=O)O

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)NC(=O)C=[N+]2C(CCC3=C(C=C(C=C32)Cl)Cl)C(=O)O

InChI

InChI=1S/C22H21Cl2N3O4/c1-13(28)25-9-8-14-2-4-16(5-3-14)26-21(29)12-27-19(22(30)31)7-6-17-18(24)10-15(23)11-20(17)27/h2-5,10-12,19H,6-9H2,1H3,(H2-,25,26,28,29,30,31)/p+1