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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-[4-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C27H27N5O2/c33-27(29-19-22-8-11-26(28-18-22)31-14-16-34-17-15-31)25-5-2-1-4-24(25)23-9-6-21(7-10-23)20-32-13-3-12-30-32/h1-13,18H,14-17,19-20H2,(H,29,33)/p+1