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

Systemtic Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-morpholinoethyl)acetamide CAS Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-(2-morpholinoethyl)acetamide Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCN3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCN3CCOCC3

InChI

InChI=1S/C20H30N4O4/c1-27-17-4-2-3-16(13-17)15-24-8-6-22-20(26)18(24)14-19(25)21-5-7-23-9-11-28-12-10-23/h2-4,13,18H,5-12,14-15H2,1H3,(H,21,25)(H,22,26)/p+1/t18-/m1/s1