N-tert-butyl-2-[4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H31ClN3O3+ MolecularWeight: 396.93144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C(C)(C)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C(C)(C)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H30ClN3O3/c1-19(2,3)22-17(25)14-23-10-12-24(13-11-23)18(26)20(4,5)27-16-8-6-15(21)7-9-16/h6-9H,10-14H2,1-5H3,(H,22,25)/p+1