N-[2-(3,4-diethoxyphenyl)ethyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-isoquinolin-2-ium-2-yl-acetamide Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC3=CC=CC=C3C=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC3=CC=CC=C3C=C2)OCC

InChI

InChI=1S/C23H26N2O3/c1-3-27-21-10-9-18(15-22(21)28-4-2)11-13-24-23(26)17-25-14-12-19-7-5-6-8-20(19)16-25/h5-10,12,14-16H,3-4,11,13,17H2,1-2H3/p+1