2-(3-tert-butylphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(3-tert-butylphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(3-tert-butylphenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(3-tert-butylphenoxy)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(3-tert-butylphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(3-tert-butylphenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)OCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)OCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H29N3O3/c1-22(2,3)18-5-4-6-19(13-18)28-16-21(26)24-15-17-7-8-20(23-14-17)25-9-11-27-12-10-25/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,24,26)/p+1