(2R)-2-[2-(2,3,6-trimethylphenoxy)ethyl]piperidin-1-ium

Systemtic Name: (2R)-2-[2-(2,3,6-trimethylphenoxy)ethyl]piperidin-1-ium Openeye Name: (2R)-2-[2-(2,3,6-trimethylphenoxy)ethyl]piperidin-1-ium CAS Name: (2R)-2-[2-(2,3,6-trimethylphenoxy)ethyl]piperidin-1-ium IUPAC Name: (2R)-2-[2-(2,3,6-trimethylphenoxy)ethyl]piperidin-1-ium Traditional Name: (2R)-2-[2-(2,3,6-trimethylphenoxy)ethyl]piperidin-1-ium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCC2CCCC[NH2+]2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC[C@H]2CCCC[NH2+]2)C

InChI

InChI=1S/C16H25NO/c1-12-7-8-13(2)16(14(12)3)18-11-9-15-6-4-5-10-17-15/h7-8,15,17H,4-6,9-11H2,1-3H3/p+1/t15-/m1/s1