N-(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)-4-methyl-benzamide

Systemtic Name: N-(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)-4-methyl-benzamide Openeye Name: N-(2,6-dimorpholinopyridin-1-ium-3-yl)-4-methyl-benzamide CAS Name: N-[2,6-bis(4-morpholinyl)-3-pyridin-1-iumyl]-4-methylbenzamide IUPAC Name: N-(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)-4-methylbenzamide Traditional Name: N-(2,6-dimorpholinopyridin-1-ium-3-yl)-4-methyl-benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C([NH+]=C(C=C2)N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C([NH+]=C(C=C2)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H26N4O3/c1-16-2-4-17(5-3-16)21(26)22-18-6-7-19(24-8-12-27-13-9-24)23-20(18)25-10-14-28-15-11-25/h2-7H,8-15H2,1H3,(H,22,26)/p+1