N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-morpholin-4-ylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-morpholin-4-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-morpholinoacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-[2-(4-morpholinyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-morpholinoacetyl)piperazin-1-ium-1-yl]acetamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3CCOCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3CCOCC3)C

InChI

InChI=1S/C21H32N4O3/c1-3-18-6-4-5-17(2)21(18)22-19(26)15-23-7-9-25(10-8-23)20(27)16-24-11-13-28-14-12-24/h4-6H,3,7-16H2,1-2H3,(H,22,26)/p+1