N'-oxidanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanimidamide

Systemtic Name: N'-oxidanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanimidamide Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N'-hydroxy-acetamidine CAS Name: N'-hydroxy-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanimidamide IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N'-hydroxyethanimidamide Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N'-hydroxy-acetamidine Formula: C13H21N4O+ MolecularWeight: 249.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(=NO)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C/C(=N\O)/N

InChI

InChI=1S/C13H20N4O/c14-13(15-18)11-17-8-6-16(7-9-17)10-12-4-2-1-3-5-12/h1-5,18H,6-11H2,(H2,14,15)/p+1