2-[(6-chloranyl-3-ethoxycarbonyl-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-3-ethoxycarbonyl-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-3-ethoxycarbonyl-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-3-ethoxycarbonyl-4-quinolin-1-iumyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-3-ethoxycarbonylquinolin-1-ium-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-carbethoxy-6-chloro-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium Formula: C16H22ClN3O2+2 MolecularWeight: 323.81778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC[NH+](C)C)Cl

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC[NH+](C)C)Cl

InChI

InChI=1S/C16H20ClN3O2/c1-4-22-16(21)13-10-19-14-6-5-11(17)9-12(14)15(13)18-7-8-20(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19)/p+2