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

Systemtic Name: ethyl 2-[1-[(4-chlorophenyl)methyl]isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(4-chlorophenyl)methyl]isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)methyl]-2-isoquinolin-2-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-chlorophenyl)methyl]isoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[1-(4-chlorobenzyl)isoquinolin-2-ium-2-yl]acetic acid ethyl ester Formula: C20H19ClNO2+ MolecularWeight: 340.82336

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClNO2/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/q+1