4-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-mesityl-butyramide Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O/c1-15-13-16(2)20(17(3)14-15)21-19(24)7-6-10-23-11-8-18(9-12-23)22(4)5/h8-9,11-14H,6-7,10H2,1-5H3/p+1