ethyl 2-[1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[(3,4,5-trimethoxyphenyl)methyl]-2-isoquinolin-2-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[1-(3,4,5-trimethoxybenzyl)isoquinolin-2-ium-2-yl]acetic acid ethyl ester Formula: C23H26NO5+ MolecularWeight: 396.45624

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26NO5/c1-5-29-22(25)15-24-11-10-17-8-6-7-9-18(17)19(24)12-16-13-20(26-2)23(28-4)21(14-16)27-3/h6-11,13-14H,5,12,15H2,1-4H3/q+1