2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-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-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-morpholinopropyl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-(3-morpholinopropyl)acetamide Formula: C22H35N4O4+ MolecularWeight: 419.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCN3CCOCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCN3CCOCC3)OC

InChI

InChI=1S/C22H34N4O4/c1-17-14-18(4-5-20(17)29-2)16-26-9-7-24-22(28)19(26)15-21(27)23-6-3-8-25-10-12-30-13-11-25/h4-5,14,19H,3,6-13,15-16H2,1-2H3,(H,23,27)(H,24,28)/p+1/t19-/m1/s1