(5-phenyl-1,2-oxazol-3-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (5-phenylisoxazol-3-yl)-piperazin-4-ium-1-yl-methanone CAS Name: (5-phenyl-3-isoxazolyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (5-phenylisoxazol-3-yl)-piperazin-4-ium-1-yl-methanone Formula: C14H16N3O2+ MolecularWeight: 258.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H15N3O2/c18-14(17-8-6-15-7-9-17)12-10-13(19-16-12)11-4-2-1-3-5-11/h1-5,10,15H,6-9H2/p+1