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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-methyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-methyl-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-methyl-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-homoveratryl-2-[(2R)-3-keto-1-methyl-piperazin-1-ium-2-yl]acetamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCNC(=O)C1CC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+]1CCNC(=O)[C@H]1CC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H25N3O4/c1-20-9-8-19-17(22)13(20)11-16(21)18-7-6-12-4-5-14(23-2)15(10-12)24-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,21)(H,19,22)/p+1/t13-/m1/s1