(3R)-4-[(2,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(2,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(2,4-dimethoxyphenyl)methyl]-3-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-morpholinyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(2,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(2,4-dimethoxybenzyl)-3-(2-keto-2-morpholino-ethyl)piperazin-4-ium-2-one Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCOCC3)OC

InChI

InChI=1S/C19H27N3O5/c1-25-15-4-3-14(17(11-15)26-2)13-22-6-5-20-19(24)16(22)12-18(23)21-7-9-27-10-8-21/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,20,24)/p+1/t16-/m1/s1