2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-ethyl-N-(2-methylallyl)acetamide CAS Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide IUPAC Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide Traditional Name: 2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-ethyl-N-(2-methylallyl)acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCN(CC(=C)C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H31N3O4/c1-6-23(13-15(2)3)20(25)12-19-21(26)22-7-8-24(19)14-16-9-17(27-4)11-18(10-16)28-5/h9-11,19H,2,6-8,12-14H2,1,3-5H3,(H,22,26)/p+1/t19-/m1/s1