ethyl 7-chloranyl-4-(furan-2-ylmethylamino)-8-methyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-(furan-2-ylmethylamino)-8-methyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-4-(2-furylmethylamino)-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-4-(2-furanylmethylamino)-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-(furan-2-ylmethylamino)-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 7-chloro-4-(2-furfurylamino)-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H18ClN2O3+ MolecularWeight: 345.80012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCC3=CC=CO3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCC3=CC=CO3)Cl)C

InChI

InChI=1S/C18H17ClN2O3/c1-3-23-18(22)14-10-21-16-11(2)15(19)7-6-13(16)17(14)20-9-12-5-4-8-24-12/h4-8,10H,3,9H2,1-2H3,(H,20,21)/p+1