2-[[7,8-bis(chloranyl)-3-ethoxycarbonyl-quinolin-1-ium-4-yl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[7,8-bis(chloranyl)-3-ethoxycarbonyl-quinolin-1-ium-4-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[(7,8-dichloro-3-ethoxycarbonyl-quinolin-1-ium-4-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(7,8-dichloro-3-ethoxycarbonyl-4-quinolin-1-iumyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(7,8-dichloro-3-ethoxycarbonylquinolin-1-ium-4-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(3-carbethoxy-7,8-dichloro-quinolin-1-ium-4-yl)amino]ethyl-diethyl-ammonium Formula: C18H25Cl2N3O2+2 MolecularWeight: 386.316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=C2C=CC(=C(C2=[NH+]C=C1C(=O)OCC)Cl)Cl

Isomeric SMILES

CC[NH+](CC)CCNC1=C2C=CC(=C(C2=[NH+]C=C1C(=O)OCC)Cl)Cl

InChI

InChI=1S/C18H23Cl2N3O2/c1-4-23(5-2)10-9-21-16-12-7-8-14(19)15(20)17(12)22-11-13(16)18(24)25-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,22)/p+2