[(2R)-2-(azepan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(3,5-dimethoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C[NH3+])[NH+]2CCCCCC2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)[C@H](C[NH3+])[NH+]2CCCCCC2)OC

InChI

InChI=1S/C16H26N2O2/c1-19-14-9-13(10-15(11-14)20-2)16(12-17)18-7-5-3-4-6-8-18/h9-11,16H,3-8,12,17H2,1-2H3/p+2/t16-/m0/s1