3-[(6-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methyl-4-quinolin-1-iumyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-1-ium-4-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-carbethoxy-6-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(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O2/c1-5-24-18(23)15-11-21-16-12(2)9-13(19)10-14(16)17(15)20-7-6-8-22(3)4/h9-11H,5-8H2,1-4H3,(H,20,21)/p+2