ethyl 6-chloranyl-4-(cyclododecylamino)-8-methyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-(cyclododecylamino)-8-methyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-4-(cyclododecylamino)-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-4-(cyclododecylamino)-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(cyclododecylamino)-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-4-(cyclododecylamino)-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C25H36ClN2O2+ MolecularWeight: 432.01854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NC3CCCCCCCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NC3CCCCCCCCCCC3

InChI

InChI=1S/C25H35ClN2O2/c1-3-30-25(29)22-17-27-23-18(2)15-19(26)16-21(23)24(22)28-20-13-11-9-7-5-4-6-8-10-12-14-20/h15-17,20H,3-14H2,1-2H3,(H,27,28)/p+1