N-(2,6-diethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C21H23N2O+ MolecularWeight: 319.42012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O/c1-3-16-10-7-11-17(4-2)21(16)22-20(24)15-23-13-12-18-8-5-6-9-19(18)14-23/h5-14H,3-4,15H2,1-2H3/p+1