[(3S)-1-cyclooctylpiperidin-1-ium-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [(3S)-1-cyclooctylpiperidin-1-ium-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[(3S)-1-cyclooctylpiperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-cyclooctyl-3-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[(3S)-1-cyclooctylpiperidin-1-ium-3-yl]methanone Traditional Name: (4-benzylpiperidino)-[(3S)-1-cyclooctylpiperidin-1-ium-3-yl]methanone Formula: C26H41N2O+ MolecularWeight: 397.61654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH+]2CCCC(C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)[NH+]2CCC[C@@H](C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H40N2O/c29-26(27-18-15-23(16-19-27)20-22-10-5-4-6-11-22)24-12-9-17-28(21-24)25-13-7-2-1-3-8-14-25/h4-6,10-11,23-25H,1-3,7-9,12-21H2/p+1/t24-/m0/s1