(NZ)-N-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)cyclododecylidene]hydroxylamine

Systemtic Name: (NZ)-N-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)cyclododecylidene]hydroxylamine Openeye Name: (2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]cyclododecanone oxime CAS Name: (2S)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-1-cyclododecanone oxime IUPAC Name: (NZ)-N-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)cyclododecylidene]hydroxylamine Traditional Name: (2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]cyclododecanone oxime Formula: C21H35N4O+ MolecularWeight: 359.5288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NO)C(CCCC1)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C1CCCCC/C(=N/O)/[C@H](CCCC1)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H34N4O/c26-23-19-11-7-5-3-1-2-4-6-8-12-20(19)24-15-17-25(18-16-24)21-13-9-10-14-22-21/h9-10,13-14,20,26H,1-8,11-12,15-18H2/p+1/b23-19-/t20-/m0/s1