[(2R)-2-piperidin-1-ium-1-yl-2-(2,4,5-trimethoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-piperidin-1-ium-1-yl-2-(2,4,5-trimethoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-piperidin-1-ium-1-yl-2-(2,4,5-trimethoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-piperidin-1-iumyl)-2-(2,4,5-trimethoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-piperidin-1-ium-1-yl-2-(2,4,5-trimethoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-asaryl-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C[NH3+])[NH+]2CCCCC2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1[C@H](C[NH3+])[NH+]2CCCCC2)OC)OC

InChI

InChI=1S/C16H26N2O3/c1-19-14-10-16(21-3)15(20-2)9-12(14)13(11-17)18-7-5-4-6-8-18/h9-10,13H,4-8,11,17H2,1-3H3/p+2/t13-/m0/s1