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

Systemtic Name: [5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(4-tert-butylphenyl)isoxazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-(4-tert-butylphenyl)-3-isoxazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-(4-tert-butylphenyl)isoxazol-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-18(2,3)14-6-4-13(5-7-14)16-12-15(20-23-16)17(22)21-10-8-19-9-11-21/h4-7,12,19H,8-11H2,1-3H3/p+1