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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-o-veratryl-acetamide Formula: C23H30N3O4+ MolecularWeight: 412.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-29-20-10-6-9-18(22(20)30-2)16-25-21(27)15-19-23(28)24-12-14-26(19)13-11-17-7-4-3-5-8-17/h3-10,19H,11-16H2,1-2H3,(H,24,28)(H,25,27)/p+1/t19-/m1/s1