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

Systemtic Name: cyclooctyl-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-[4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-yl]ethyl]ammonium Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH2+]C3CCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH2+]C3CCCCCCC3

InChI

InChI=1S/C23H36N4O2/c1-19-9-11-21(12-10-19)25-22(28)18-26-13-15-27(16-14-26)23(29)17-24-20-7-5-3-2-4-6-8-20/h9-12,20,24H,2-8,13-18H2,1H3,(H,25,28)/p+2