ethyl 2-[1-[(4-chlorophenyl)methyl]isoquinolin-2-ium-2-yl]ethanoate bromide

Systemtic Name: ethyl 2-[1-[(4-chlorophenyl)methyl]isoquinolin-2-ium-2-yl]ethanoate bromide Openeye Name: ethyl 2-[1-[(4-chlorophenyl)methyl]isoquinolin-2-ium-2-yl]acetate bromide CAS Name: 2-[1-[(4-chlorophenyl)methyl]-2-isoquinolin-2-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[1-[(4-chlorophenyl)methyl]isoquinolin-2-ium-2-yl]acetate bromide Traditional Name: 2-[1-(4-chlorobenzyl)isoquinolin-2-ium-2-yl]acetic acid ethyl ester bromide Formula: C20H19BrClNO2 MolecularWeight: 420.72736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C20H19ClNO2.BrH/c1-2-24-20(23)14-22-12-11-16-5-3-4-6-18(16)19(22)13-15-7-9-17(21)10-8-15;/h3-12H,2,13-14H2,1H3;1H/q+1;/p-1