ethyl 2-methyl-4-[(4-piperidin-1-ium-1-ylphenyl)amino]quinoline-6-carboxylate chloride

Systemtic Name: ethyl 2-methyl-4-[(4-piperidin-1-ium-1-ylphenyl)amino]quinoline-6-carboxylate chloride Openeye Name: ethyl 2-methyl-4-(4-piperidin-1-ium-1-ylanilino)quinoline-6-carboxylate chloride CAS Name: 2-methyl-4-[4-(1-piperidin-1-iumyl)anilino]-6-quinolinecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 2-methyl-4-(4-piperidin-1-ium-1-ylanilino)quinoline-6-carboxylate chloride Traditional Name: 2-methyl-4-(4-piperidin-1-ium-1-ylanilino)quinoline-6-carboxylic acid ethyl ester chloride Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2NC3=CC=C(C=C3)[NH+]4CCCCC4)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2NC3=CC=C(C=C3)[NH+]4CCCCC4)C.[Cl-]

InChI

InChI=1S/C24H27N3O2.ClH/c1-3-29-24(28)18-7-12-22-21(16-18)23(15-17(2)25-22)26-19-8-10-20(11-9-19)27-13-5-4-6-14-27;/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,26);1H