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

Systemtic Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-ethanamide Openeye Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide CAS Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-phenethylacetamide IUPAC Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-phenethylacetamide Traditional Name: 2-[(2S)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C24H31N3O4/c1-26(14-12-18-8-5-4-6-9-18)22(28)16-20-24(29)25-13-15-27(20)17-19-10-7-11-21(30-2)23(19)31-3/h4-11,20H,12-17H2,1-3H3,(H,25,29)/p+1/t20-/m0/s1