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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-3-25-19-10-9-18(13-20(19)26-4-2)22-21(24)15-23-12-11-16-7-5-6-8-17(16)14-23/h5-14H,3-4,15H2,1-2H3/p+1