[(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(3-pentoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(3-pentoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(3-pentoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-(3-pentoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(3-pentoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(3-amoxyphenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C20H36N2O+2 MolecularWeight: 320.51264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O/c1-3-5-8-14-23-19-12-9-10-17(15-19)20(16-21)22-13-7-6-11-18(22)4-2/h9-10,12,15,18,20H,3-8,11,13-14,16,21H2,1-2H3/p+2/t18-,20-/m0/s1