3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]methyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]methyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidyl]methyl]-N'-hydroxy-benzamidine CAS Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 3-[[(2S,6S)-2,6-dimethylpiperidino]methyl]-N'-hydroxy-benzamidine Formula: C15H23N3O MolecularWeight: 261.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC2=CC=CC(=C2)C(=NO)N)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1CC2=CC=CC(=C2)/C(=N\O)/N)C

InChI

InChI=1S/C15H23N3O/c1-11-5-3-6-12(2)18(11)10-13-7-4-8-14(9-13)15(16)17-19/h4,7-9,11-12,19H,3,5-6,10H2,1-2H3,(H2,16,17)/t11-,12-/m0/s1