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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H22N6O2/c27-20(18-4-1-16(2-5-18)13-26-15-21-14-24-26)23-12-17-3-6-19(22-11-17)25-7-9-28-10-8-25/h1-6,11,14-15H,7-10,12-13H2,(H,23,27)/p+1