[(2R)-2-(azepan-1-ium-1-yl)-2-(3-hexoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-hexoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-hexoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(3-hexoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-hexoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-hexoxyphenyl)ethyl]ammonium Formula: C20H36N2O+2 MolecularWeight: 320.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C20H34N2O/c1-2-3-4-9-15-23-19-12-10-11-18(16-19)20(17-21)22-13-7-5-6-8-14-22/h10-12,16,20H,2-9,13-15,17,21H2,1H3/p+2/t20-/m0/s1