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

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone Openeye Name: (5-phenylisoxazol-3-yl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-(5-phenyl-3-isoxazolyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone Traditional Name: [4-(4-methylbenzyl)piperazin-4-ium-1-yl]-(5-phenylisoxazol-3-yl)methanone Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-17-7-9-18(10-8-17)16-24-11-13-25(14-12-24)22(26)20-15-21(27-23-20)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3/p+1