ethyl 7-chloranyl-8-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-8-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-8-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoline-3-carboxylate CAS Name: 7-chloro-8-methyl-4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-8-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoline-3-carboxylate Traditional Name: 7-chloro-8-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoline-3-carboxylic acid ethyl ester Formula: C20H27ClN3O2+ MolecularWeight: 376.90028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1N(C)C3CC[NH+](CC3)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1N(C)C3CC[NH+](CC3)C)Cl)C

InChI

InChI=1S/C20H26ClN3O2/c1-5-26-20(25)16-12-22-18-13(2)17(21)7-6-15(18)19(16)24(4)14-8-10-23(3)11-9-14/h6-7,12,14H,5,8-11H2,1-4H3/p+1