[(2R)-2-piperidin-1-ium-1-yl-2-(2,3,4-trimethoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-piperidin-1-ium-1-yl-2-(2,3,4-trimethoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-piperidin-1-ium-1-yl-2-(2,3,4-trimethoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-piperidin-1-iumyl)-2-(2,3,4-trimethoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-piperidin-1-ium-1-yl-2-(2,3,4-trimethoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-piperidin-1-ium-1-yl-2-(2,3,4-trimethoxyphenyl)ethyl]ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-19-14-8-7-12(15(20-2)16(14)21-3)13(11-17)18-9-5-4-6-10-18/h7-8,13H,4-6,9-11,17H2,1-3H3/p+2/t13-/m0/s1