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

Systemtic Name: 1,2-oxazol-5-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-isoxazol-5-yl-methanone CAS Name: 5-isoxazolyl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(1,2-oxazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-isoxazol-5-yl-methanone Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=NO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=NO3

InChI

InChI=1S/C15H17N3O2/c19-15(14-6-7-16-20-14)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-7H,8-12H2/p+1