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

Systemtic Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)-1-methoxycarbonyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)-1-methoxycarbonyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid CAS Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)-1-methoxycarbonyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid IUPAC Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)-1-methoxycarbonyl-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid Traditional Name: 1-carbomethoxy-2-(4-chlorophenyl)-1-(ethylcarbamoyl)-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid Formula: C21H22ClN2O5+ MolecularWeight: 417.86278

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2CC[N+]1(C3=CC=C(C=C3)Cl)C(=O)O)C(=O)OC

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2CC[N+]1(C3=CC=C(C=C3)Cl)C(=O)O)C(=O)OC

InChI

InChI=1S/C21H21ClN2O5/c1-3-23-18(25)21(19(26)29-2)17-7-5-4-6-14(17)12-13-24(21,20(27)28)16-10-8-15(22)9-11-16/h4-11H,3,12-13H2,1-2H3,(H-,23,25,27,28)/p+1