[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-(3,4-dimethylphenyl)isoxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-(3,4-dimethylphenyl)-3-isoxazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-(3,4-dimethylphenyl)isoxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H21N3O2/c1-12-4-5-14(10-13(12)2)16-11-15(18-22-16)17(21)20-8-6-19(3)7-9-20/h4-5,10-11H,6-9H2,1-3H3/p+1