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

Systemtic Name: (7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)-methyl-(phenylmethyl)azanium Openeye Name: benzyl-(7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolyl)-methyl-ammonium CAS Name: (7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolinyl)-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(7-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)-methylazanium Traditional Name: benzyl-(3-carbethoxy-7-chloro-8-methyl-4-quinolyl)-methyl-ammonium Formula: C21H22ClN2O2+ MolecularWeight: 369.86458

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2/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/p+1