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

Systemtic Name: piperazin-4-ium-1-yl-[5-(4-propan-2-ylphenyl)-1,2-oxazol-3-yl]methanone Openeye Name: [5-(4-isopropylphenyl)isoxazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: 1-piperazin-4-iumyl-[5-(4-propan-2-ylphenyl)-3-isoxazolyl]methanone IUPAC Name: piperazin-4-ium-1-yl-[5-(4-propan-2-ylphenyl)-1,2-oxazol-3-yl]methanone Traditional Name: (5-p-cumenylisoxazol-3-yl)-piperazin-4-ium-1-yl-methanone Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH2+]CC3

InChI

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