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

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-phenyl-4-isoxazolyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c1-16-20(21(24-28-16)18-7-3-2-4-8-18)22(27)26-12-10-25(11-13-26)15-17-6-5-9-19(23)14-17/h2-9,14H,10-13,15H2,1H3/p+1