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

Systemtic Name: 2-[(3-ethoxycarbonyl-6-methoxycarbonyl-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-ethoxycarbonyl-6-methoxycarbonyl-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(3-ethoxycarbonyl-6-methoxycarbonyl-4-quinolin-1-iumyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-ethoxycarbonyl-6-methoxycarbonylquinolin-1-ium-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-carbethoxy-6-carbomethoxy-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium Formula: C18H25N3O4+2 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-5-25-18(23)14-11-20-15-7-6-12(17(22)24-4)10-13(15)16(14)19-8-9-21(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,20)/p+2