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

Systemtic Name: N-cyclohexyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclohexyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclohexyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclohexyl-2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NC3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCCCC3)OC

InChI

InChI=1S/C21H31N3O4/c1-27-17-10-15(11-18(12-17)28-2)14-24-9-8-22-21(26)19(24)13-20(25)23-16-6-4-3-5-7-16/h10-12,16,19H,3-9,13-14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t19-/m1/s1