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

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-hydroxy-2,2-dimethyl-propyl)acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-hydroxy-2,2-dimethyl-propyl)acetamide Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC(C)(C)CO

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)CO

InChI

InChI=1S/C20H31N3O4/c1-4-27-16-7-5-15(6-8-16)12-23-10-9-21-19(26)17(23)11-18(25)22-13-20(2,3)14-24/h5-8,17,24H,4,9-14H2,1-3H3,(H,21,26)(H,22,25)/p+1/t17-/m1/s1