N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-morpholinopyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[2-(4-morpholinyl)-3-pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-ylpyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-morpholinonicotinoyl)piperazin-1-ium-1-yl]acetamide Formula: C24H32N5O3+ MolecularWeight: 438.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCOCC4

InChI

InChI=1S/C24H31N5O3/c1-18-5-3-6-19(2)22(18)26-21(30)17-27-9-11-29(12-10-27)24(31)20-7-4-8-25-23(20)28-13-15-32-16-14-28/h3-8H,9-17H2,1-2H3,(H,26,30)/p+1