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

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3,5-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]-N-(3,5-dimethoxybenzyl)acetamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3CCCCC3)OC

InChI

InChI=1S/C22H33N3O4/c1-28-18-10-17(11-19(12-18)29-2)14-24-21(26)13-20-22(27)23-8-9-25(20)15-16-6-4-3-5-7-16/h10-12,16,20H,3-9,13-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1