2-(4-chlorophenyl)-3-(ethylamino)-1-methoxycarbonyl-1-methyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-3-(ethylamino)-1-methoxycarbonyl-1-methyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-(ethylamino)-1-methoxycarbonyl-1-methyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-(ethylamino)-1-methoxycarbonyl-1-methyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-(ethylamino)-1-methoxycarbonyl-1-methyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid Traditional Name: 1-carbomethoxy-2-(4-chlorophenyl)-3-(ethylamino)-1-methyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid Formula: C21H24ClN2O4+ MolecularWeight: 403.87926

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CC2=CC=CC=C2C([N+]1(C3=CC=C(C=C3)Cl)C(=O)O)(C)C(=O)OC

Isomeric SMILES

CCNC1CC2=CC=CC=C2C([N+]1(C3=CC=C(C=C3)Cl)C(=O)O)(C)C(=O)OC

InChI

InChI=1S/C21H23ClN2O4/c1-4-23-18-13-14-7-5-6-8-17(14)21(2,19(25)28-3)24(18,20(26)27)16-11-9-15(22)10-12-16/h5-12,18,23H,4,13H2,1-3H3/p+1