3-(4-ethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-(4-ethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(4-ethylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(4-ethylphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(4-ethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(4-ethylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H27N3O2/c1-2-17-3-5-18(6-4-17)8-10-21(25)23-16-19-7-9-20(22-15-19)24-11-13-26-14-12-24/h3-7,9,15H,2,8,10-14,16H2,1H3,(H,23,25)/p+1