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

Systemtic Name: ethyl 2-[1-[(4-methylphenyl)methyl]isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-(p-tolylmethyl)isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[(4-methylphenyl)methyl]-2-isoquinolin-2-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-methylphenyl)methyl]isoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[1-(4-methylbenzyl)isoquinolin-2-ium-2-yl]acetic acid ethyl ester Formula: C21H22NO2+ MolecularWeight: 320.40488

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO2/c1-3-24-21(23)15-22-13-12-18-6-4-5-7-19(18)20(22)14-17-10-8-16(2)9-11-17/h4-13H,3,14-15H2,1-2H3/q+1