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

Systemtic Name: cyclooctyl-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]azanium Openeye Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: cyclooctyl-[2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl]ammonium IUPAC Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C27H40N4O+2 MolecularWeight: 436.6327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H38N4O/c32-27(21-28-24-11-7-2-1-3-8-12-24)29-25-13-15-26(16-14-25)31-19-17-30(18-20-31)22-23-9-5-4-6-10-23/h4-6,9-10,13-16,24,28H,1-3,7-8,11-12,17-22H2,(H,29,32)/p+2