(2S)-1-(2-methoxyphenyl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(2-methoxyphenyl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(2-methoxyphenyl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(2-methoxyphenyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(2-methoxyphenyl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(2-methoxyphenyl)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C14H21N2O2+ MolecularWeight: 249.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1OC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1OC)N2CC[NH2+]CC2

InChI

InChI=1S/C14H20N2O2/c1-11(16-9-7-15-8-10-16)14(17)12-5-3-4-6-13(12)18-2/h3-6,11,15H,7-10H2,1-2H3/p+1/t11-/m0/s1