4-(2-ethoxyphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide

Systemtic Name: 4-(2-ethoxyphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Openeye Name: 4-(2-ethoxyphenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butanamide CAS Name: 4-(2-ethoxyphenoxy)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]butanamide IUPAC Name: 4-(2-ethoxyphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Traditional Name: 4-(2-ethoxyphenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butyramide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H29N3O4/c1-2-28-19-6-3-4-7-20(19)29-13-5-8-22(26)24-17-18-9-10-21(23-16-18)25-11-14-27-15-12-25/h3-4,6-7,9-10,16H,2,5,8,11-15,17H2,1H3,(H,24,26)/p+1