[7,8-bis(chloranyl)-3-ethoxycarbonyl-quinolin-4-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [7,8-bis(chloranyl)-3-ethoxycarbonyl-quinolin-4-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-(7,8-dichloro-3-ethoxycarbonyl-4-quinolyl)-methyl-ammonium CAS Name: (7,8-dichloro-3-ethoxycarbonyl-4-quinolinyl)-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(7,8-dichloro-3-ethoxycarbonylquinolin-4-yl)-methylazanium Traditional Name: benzyl-(3-carbethoxy-7,8-dichloro-4-quinolyl)-methyl-ammonium Formula: C20H19Cl2N2O2+ MolecularWeight: 390.28306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1[NH+](C)CC3=CC=CC=C3)C=CC(=C2Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1[NH+](C)CC3=CC=CC=C3)C=CC(=C2Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O2/c1-3-26-20(25)15-11-23-18-14(9-10-16(21)17(18)22)19(15)24(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3/p+1