N-butyl-2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C20H28ClN4O2+ MolecularWeight: 391.91492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4O2/c1-2-3-8-22-20(26)15-25-11-9-24(10-12-25)14-18-13-19(23-27-18)16-4-6-17(21)7-5-16/h4-7,13H,2-3,8-12,14-15H2,1H3,(H,22,26)/p+1