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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

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