2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide Traditional Name: N-(4-ethylbenzyl)-2-[(2R)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC(C)(C)C

InChI

InChI=1S/C21H33N3O2/c1-6-16-7-9-17(10-8-16)14-23(5)19(25)13-18-20(26)22-11-12-24(18)15-21(2,3)4/h7-10,18H,6,11-15H2,1-5H3,(H,22,26)/p+1/t18-/m1/s1