(7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)-methyl-(phenylmethyl)azanium chloride

Systemtic Name: (7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)-methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolyl)-methyl-ammonium chloride CAS Name: (7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolinyl)-methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(7-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)-methylazanium chloride Traditional Name: benzyl-(3-carbethoxy-7-chloro-8-methyl-4-quinolyl)-methyl-ammonium chloride Formula: C21H22Cl2N2O2 MolecularWeight: 405.31758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1[NH+](C)CC3=CC=CC=C3)Cl)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1[NH+](C)CC3=CC=CC=C3)Cl)C.[Cl-]

InChI

InChI=1S/C21H21ClN2O2.ClH/c1-4-26-21(25)17-12-23-19-14(2)18(22)11-10-16(19)20(17)24(3)13-15-8-6-5-7-9-15;/h5-12H,4,13H2,1-3H3;1H