4-isoquinolin-2-ium-2-yl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-isoquinolin-2-ium-2-yl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-isoquinolin-2-ium-2-yl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-(2-isoquinolin-2-iumyl)-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-isoquinolin-2-ium-2-yl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: 4-isoquinolin-2-ium-2-yl-N-mesityl-butyramide Formula: C22H25N2O+ MolecularWeight: 333.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCC[N+]2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCC[N+]2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C22H24N2O/c1-16-13-17(2)22(18(3)14-16)23-21(25)9-6-11-24-12-10-19-7-4-5-8-20(19)15-24/h4-5,7-8,10,12-15H,6,9,11H2,1-3H3/p+1