4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)butyramide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCC[N+]2=CC3=C(CCCC3)C=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCC[N+]2=CC3=C(CCCC3)C=C2)C

InChI

InChI=1S/C22H28N2O/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/h10,12-15H,4-9,11H2,1-3H3/p+1