[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl]-[(3-methoxycarbonyl-4-methyl-2-quinolyl)methyl]-methyl-ammonium CAS Name: [2-(4-chloroanilino)-2-oxoethyl]-[(3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl]-methylammonium IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl]-[(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl]-methylazanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-[2-(4-chloroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC(=O)NC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC(=O)NC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H22ClN3O3/c1-14-17-6-4-5-7-18(17)25-19(21(14)22(28)29-3)12-26(2)13-20(27)24-16-10-8-15(23)9-11-16/h4-11H,12-13H2,1-3H3,(H,24,27)/p+1