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

Systemtic Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-phenethyl-ethanamide Openeye Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-phenethyl-acetamide CAS Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-phenethylacetamide Traditional Name: 2-[(2R)-1-(2,4-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-phenethyl-acetamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H29N3O4/c1-29-19-9-8-18(21(14-19)30-2)16-26-13-12-25-23(28)20(26)15-22(27)24-11-10-17-6-4-3-5-7-17/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t20-/m1/s1