2-(4-oxidanylphenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(4-oxidanylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(4-hydroxyphenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(4-hydroxyphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-hydroxyphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(4-hydroxyphenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C12H17N2O3+ MolecularWeight: 237.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)COC2=CC=C(C=C2)O

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)COC2=CC=C(C=C2)O

InChI

InChI=1S/C12H16N2O3/c15-10-1-3-11(4-2-10)17-9-12(16)14-7-5-13-6-8-14/h1-4,13,15H,5-9H2/p+1