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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-15(2)17-4-6-18(7-5-17)20(24)22-14-16-3-8-19(21-13-16)23-9-11-25-12-10-23/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,24)/p+1