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

Systemtic Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azocan-1-iumyl)-2-(3,5-dimethoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(3,5-dimethoxyphenyl)ethyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-20-15-10-14(11-16(12-15)21-2)17(13-18)19-8-6-4-3-5-7-9-19/h10-12,17H,3-9,13,18H2,1-2H3/p+2/t17-/m0/s1