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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-methylisoxazol-3-yl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-methyl-3-isoxazolyl)-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methyl-1,2-oxazol-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-methylbenzyl)piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone Formula: C17H22N3O2+ MolecularWeight: 300.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NOC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NOC(=C3)C

InChI

InChI=1S/C17H21N3O2/c1-13-3-5-15(6-4-13)12-19-7-9-20(10-8-19)17(21)16-11-14(2)22-18-16/h3-6,11H,7-10,12H2,1-2H3/p+1