[(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-pentoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-pentoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-pentoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-(4-pentoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-pentoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-amoxyphenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C20H36N2O+2 MolecularWeight: 320.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(C[NH3+])[NH+]2CCCCC2CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@H](C[NH3+])[NH+]2CCCC[C@@H]2CC

InChI

InChI=1S/C20H34N2O/c1-3-5-8-15-23-19-12-10-17(11-13-19)20(16-21)22-14-7-6-9-18(22)4-2/h10-13,18,20H,3-9,14-16,21H2,1-2H3/p+2/t18-,20-/m0/s1