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

Systemtic Name: cyclooctyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium Openeye Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: cyclooctyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]ammonium IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C22H37N3O+2 MolecularWeight: 359.54868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O/c26-22(17-23-20-11-7-2-1-3-8-12-20)24-21-13-15-25(16-14-21)18-19-9-5-4-6-10-19/h4-6,9-10,20-21,23H,1-3,7-8,11-18H2,(H,24,26)/p+2