2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-[5-(p-tolyl)oxazol-2-yl]benzamide CAS Name: 2-[5-(4-methylphenyl)-2-oxazolyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-[5-(p-tolyl)oxazol-2-yl]benzamide Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H26N4O3/c1-19-6-9-21(10-7-19)24-18-30-27(34-24)23-5-3-2-4-22(23)26(32)29-17-20-8-11-25(28-16-20)31-12-14-33-15-13-31/h2-11,16,18H,12-15,17H2,1H3,(H,29,32)/p+1