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

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

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)C

InChI

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