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

Systemtic Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C23H36N3O4+ MolecularWeight: 418.54964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCC3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC3CCCC3)OC

InChI

InChI=1S/C23H35N3O4/c1-29-19-12-18(13-20(14-19)30-2)16-26-11-10-25-23(28)21(26)15-22(27)24-9-5-8-17-6-3-4-7-17/h12-14,17,21H,3-11,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t21-/m1/s1