[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H21ClN3O2+ MolecularWeight: 382.86334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O2/c22-18-8-6-16(7-9-18)20-14-19(27-23-20)15-24-10-12-25(13-11-24)21(26)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/p+1