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

Systemtic Name: [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(2,5-dimethylphenyl)isoxazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-(2,5-dimethylphenyl)-3-isoxazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-(2,5-dimethylphenyl)isoxazol-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=NO2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=NO2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H19N3O2/c1-11-3-4-12(2)13(9-11)15-10-14(18-21-15)16(20)19-7-5-17-6-8-19/h3-4,9-10,17H,5-8H2,1-2H3/p+1