ethyl 2-[1-(phenylmethyl)isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-(phenylmethyl)isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-(1-benzylisoquinolin-2-ium-2-yl)acetate CAS Name: 2-[1-(phenylmethyl)-2-isoquinolin-2-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzylisoquinolin-2-ium-2-yl)acetate Traditional Name: 2-(1-benzylisoquinolin-2-ium-2-yl)acetic acid ethyl ester Formula: C20H20NO2+ MolecularWeight: 306.3783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO2/c1-2-23-20(22)15-21-13-12-17-10-6-7-11-18(17)19(21)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3/q+1