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

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-isoxazolyl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Traditional Name: [4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone Formula: C16H19ClN3O2+ MolecularWeight: 320.79396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O2/c1-12-10-15(18-22-12)16(21)20-8-6-19(7-9-20)11-13-2-4-14(17)5-3-13/h2-5,10H,6-9,11H2,1H3/p+1