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

Systemtic Name: N-tert-butyl-2-[4-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(4-chloro-2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H33ClN3O3+ MolecularWeight: 410.95802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3O3/c1-16-14-17(22)7-8-18(16)28-13-5-6-20(27)25-11-9-24(10-12-25)15-19(26)23-21(2,3)4/h7-8,14H,5-6,9-13,15H2,1-4H3,(H,23,26)/p+1