1-[4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[4-oxo-4-(2,4,6-trimethylanilino)butyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[4-oxo-4-(2,4,6-trimethylanilino)butyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[4-oxo-4-(2,4,6-trimethylanilino)butyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-(4-keto-4-mesidino-butyl)pyridin-1-ium-3-carboxamide Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-13-10-14(2)18(15(3)11-13)21-17(23)7-5-9-22-8-4-6-16(12-22)19(20)24/h4,6,8,10-12H,5,7,9H2,1-3H3,(H2-,20,21,23,24)/p+1