4-[2,4-bis(chloranyl)phenoxy]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]butyramide Formula: C20H24Cl2N3O2+ MolecularWeight: 409.32946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3O2/c21-16-5-6-18(17(22)13-16)27-11-3-4-20(26)24-14-15-7-8-23-19(12-15)25-9-1-2-10-25/h5-8,12-13H,1-4,9-11,14H2,(H,24,26)/p+1