[(2R)-2-(azocan-1-ium-1-yl)-2-(2,5-dimethoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(2,5-dimethoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(2,5-dimethoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azocan-1-iumyl)-2-(2,5-dimethoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(2,5-dimethoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(2,5-dimethoxyphenyl)ethyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C[NH3+])[NH+]2CCCCCCC2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H](C[NH3+])[NH+]2CCCCCCC2

InChI

InChI=1S/C17H28N2O2/c1-20-14-8-9-17(21-2)15(12-14)16(13-18)19-10-6-4-3-5-7-11-19/h8-9,12,16H,3-7,10-11,13,18H2,1-2H3/p+2/t16-/m0/s1