N-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C21H23N2O+ MolecularWeight: 319.42012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O/c1-21(2,3)18-8-10-19(11-9-18)22-20(24)15-23-13-12-16-6-4-5-7-17(16)14-23/h4-14H,15H2,1-3H3/p+1