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

Systemtic Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-ethyl-N-(2-methylallyl)acetamide CAS Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide IUPAC Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-(2-methylallyl)acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-6-23(13-15(2)3)20(25)12-17-21(26)22-9-10-24(17)14-16-7-8-18(27-4)19(11-16)28-5/h7-8,11,17H,2,6,9-10,12-14H2,1,3-5H3,(H,22,26)/p+1/t17-/m1/s1