N-tert-butyl-2-[4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-chloro-2-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-chloro-2-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C19H29ClN3O3+ MolecularWeight: 382.90486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H28ClN3O3/c1-14-11-15(20)5-6-16(14)26-13-18(25)23-9-7-22(8-10-23)12-17(24)21-19(2,3)4/h5-6,11H,7-10,12-13H2,1-4H3,(H,21,24)/p+1