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

Systemtic Name: (2S)-1-(azocan-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(azocan-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(1-azocanyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(azocan-1-yl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(azocan-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C14H28N3O+ MolecularWeight: 254.39162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCCC1)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCCC1)N2CC[NH2+]CC2

InChI

InChI=1S/C14H27N3O/c1-13(16-11-7-15-8-12-16)14(18)17-9-5-3-2-4-6-10-17/h13,15H,2-12H2,1H3/p+1/t13-/m0/s1