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

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(3-morpholinopropyl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-methyl-N-(3-morpholinopropyl)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)N(C)CCCN3CCOCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CCCN3CCOCC3)OC

InChI

InChI=1S/C23H36N4O4/c1-18-15-19(5-6-21(18)30-3)17-27-10-7-24-23(29)20(27)16-22(28)25(2)8-4-9-26-11-13-31-14-12-26/h5-6,15,20H,4,7-14,16-17H2,1-3H3,(H,24,29)/p+1/t20-/m1/s1