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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH2+]CC3

InChI

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