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

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-isoxazol-4-yl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-ethyl-5-methyl-4-isoxazolyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-isoxazol-4-yl)methanone Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H22ClN3O2/c1-3-16-17(13(2)24-20-16)18(23)22-9-7-21(8-10-22)12-14-5-4-6-15(19)11-14/h4-6,11H,3,7-10,12H2,1-2H3/p+1