N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C19H30N3O3+ MolecularWeight: 348.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC(C)(C)CO

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)CO

InChI

InChI=1S/C19H29N3O3/c1-14-4-6-15(7-5-14)11-22-9-8-20-18(25)16(22)10-17(24)21-12-19(2,3)13-23/h4-7,16,23H,8-13H2,1-3H3,(H,20,25)(H,21,24)/p+1/t16-/m1/s1