2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide CAS Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(methylthio)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c1-25-16-6-5-14(11-17(16)26-2)13-22-9-8-21-19(24)15(22)12-18(23)20-7-4-10-27-3/h5-6,11,15H,4,7-10,12-13H2,1-3H3,(H,20,23)(H,21,24)/p+1/t15-/m1/s1