2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methyl-2-morpholin-4-yl-propyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methyl-2-morpholin-4-yl-propyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-methyl-2-morpholino-propyl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-methyl-2-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-(2-methyl-2-morpholino-propyl)acetamide Formula: C23H37N4O4+ MolecularWeight: 433.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC(C)(C)N3CCOCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)N3CCOCC3)OC

InChI

InChI=1S/C23H36N4O4/c1-17-13-18(5-6-20(17)30-4)15-26-8-7-24-22(29)19(26)14-21(28)25-16-23(2,3)27-9-11-31-12-10-27/h5-6,13,19H,7-12,14-16H2,1-4H3,(H,24,29)(H,25,28)/p+1/t19-/m1/s1