N-[[1-(cyclooctylmethyl)-1-ethyl-piperidin-1-ium-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide

Systemtic Name: N-[[1-(cyclooctylmethyl)-1-ethyl-piperidin-1-ium-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide Openeye Name: N-[[1-(cyclooctylmethyl)-1-ethyl-piperidin-1-ium-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide CAS Name: N-[[1-(cyclooctylmethyl)-1-ethyl-3-piperidin-1-iumyl]methyl]-6-[(1-oxo-3,3,3-triphenylpropyl)amino]hexanamide IUPAC Name: N-[[1-(cyclooctylmethyl)-1-ethylpiperidin-1-ium-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide Traditional Name: N-[[1-(cyclooctylmethyl)-1-ethyl-piperidin-1-ium-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide Formula: C44H62N3O2+ MolecularWeight: 664.98198

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC(C1)CNC(=O)CCCCCNC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5CCCCCCC5

Isomeric SMILES

CC[N+]1(CCCC(C1)CNC(=O)CCCCCNC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5CCCCCCC5

InChI

InChI=1S/C44H61N3O2/c1-2-47(35-37-21-10-4-3-5-11-22-37)32-20-23-38(36-47)34-46-42(48)30-18-9-19-31-45-43(49)33-44(39-24-12-6-13-25-39,40-26-14-7-15-27-40)41-28-16-8-17-29-41/h6-8,12-17,24-29,37-38H,2-5,9-11,18-23,30-36H2,1H3,(H-,45,46,48,49)/p+1