4-(3,4-dimethylphenyl)-4-oxidanylidene-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide

Systemtic Name: 4-(3,4-dimethylphenyl)-4-oxidanylidene-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide Openeye Name: 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide CAS Name: 4-(3,4-dimethylphenyl)-4-oxo-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]butanamide IUPAC Name: 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]butyramide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)C

InChI

InChI=1S/C22H27N3O2/c1-16-5-6-19(13-17(16)2)20(26)7-8-22(27)24-15-18-9-10-23-21(14-18)25-11-3-4-12-25/h5-6,9-10,13-14H,3-4,7-8,11-12,15H2,1-2H3,(H,24,27)/p+1