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

Systemtic Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-cyclopentylpropyl)-2-[(2R)-3-keto-1-o-veratryl-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(=C1OC)C[NH+]2CCNC(=O)C2CC(=O)NCCCC3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC3CCCC3

InChI

InChI=1S/C23H35N3O4/c1-29-20-11-5-10-18(22(20)30-2)16-26-14-13-25-23(28)19(26)15-21(27)24-12-6-9-17-7-3-4-8-17/h5,10-11,17,19H,3-4,6-9,12-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t19-/m1/s1