N-methyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(4-morpholin-4-ylbutyl)ethanamide

Systemtic Name: N-methyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(4-morpholin-4-ylbutyl)ethanamide Openeye Name: N-methyl-N-(4-morpholinobutyl)-2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[4-(4-morpholinyl)butyl]acetamide IUPAC Name: N-methyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(4-morpholin-4-ylbutyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]-N-methyl-N-(4-morpholinobutyl)acetamide Formula: C23H37N4O3+ MolecularWeight: 417.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N(C)CCCCN3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CCCCN3CCOCC3

InChI

InChI=1S/C23H36N4O3/c1-19-5-7-20(8-6-19)18-27-12-9-24-23(29)21(27)17-22(28)25(2)10-3-4-11-26-13-15-30-16-14-26/h5-8,21H,3-4,9-18H2,1-2H3,(H,24,29)/p+1/t21-/m1/s1