4-(4-chloranyl-3-methyl-phenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butanamide CAS Name: 4-(4-chloro-3-methylphenoxy)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]butanamide IUPAC Name: 4-(4-chloro-3-methylphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butyramide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)Cl

InChI

InChI=1S/C21H26ClN3O3/c1-16-13-18(5-6-19(16)22)28-10-2-3-21(26)24-15-17-4-7-20(23-14-17)25-8-11-27-12-9-25/h4-7,13-14H,2-3,8-12,15H2,1H3,(H,24,26)/p+1