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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O/c1-2-3-10-15-22-19-12-7-6-11-17(19)18(16-20)21-13-8-4-5-9-14-21/h6-7,11-12,18H,2-5,8-10,13-16,20H2,1H3/p+2/t18-/m0/s1