cyclooctyl-[2-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]ammonium Formula: C24H40N4O2+2 MolecularWeight: 416.6

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH2+]C3CCCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH2+]C3CCCCCCC3

InChI

InChI=1S/C24H38N4O2/c1-2-20-10-8-9-13-22(20)26-23(29)19-27-14-16-28(17-15-27)24(30)18-25-21-11-6-4-3-5-7-12-21/h8-10,13,21,25H,2-7,11-12,14-19H2,1H3,(H,26,29)/p+2