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

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-pentoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-pentoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(4-pentoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-pentoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-amoxyphenyl)-2-(azepan-1-ium-1-yl)ethyl]ammonium Formula: C19H34N2O+2 MolecularWeight: 306.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C19H32N2O/c1-2-3-8-15-22-18-11-9-17(10-12-18)19(16-20)21-13-6-4-5-7-14-21/h9-12,19H,2-8,13-16,20H2,1H3/p+2/t19-/m0/s1