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

Systemtic Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-morpholinopropyl)acetamide CAS Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]-N-(3-morpholinopropyl)acetamide Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCCN3CCOCC3

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCN3CCOCC3

InChI

InChI=1S/C21H32N4O4/c1-28-19-6-3-2-5-17(19)16-25-10-8-23-21(27)18(25)15-20(26)22-7-4-9-24-11-13-29-14-12-24/h2-3,5-6,18H,4,7-16H2,1H3,(H,22,26)(H,23,27)/p+1/t18-/m1/s1