3-[(7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolin-1-iumyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methylquinolin-1-ium-4-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-carbethoxy-7-chloro-8-methyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-ammonium Formula: C18H26ClN3O2+2 MolecularWeight: 351.87094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCCC[NH+](C)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCCC[NH+](C)C)Cl)C

InChI

InChI=1S/C18H24ClN3O2/c1-5-24-18(23)14-11-21-16-12(2)15(19)8-7-13(16)17(14)20-9-6-10-22(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21)/p+2