1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-piperazin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-(1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-1-ium-1-ylethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-piperazin-1-ium-1-yl-ethanone Formula: C12H24N3O+ MolecularWeight: 226.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CCNCC2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C12H23N3O/c1-11-3-2-6-15(9-11)12(16)10-14-7-4-13-5-8-14/h11,13H,2-10H2,1H3/p+1/t11-/m0/s1