2-[2-(2,3,6-trimethylphenoxy)ethylsulfonyl]ethylazanium

Systemtic Name: 2-[2-(2,3,6-trimethylphenoxy)ethylsulfonyl]ethylazanium Openeye Name: 2-[2-(2,3,6-trimethylphenoxy)ethylsulfonyl]ethylammonium CAS Name: 2-[2-(2,3,6-trimethylphenoxy)ethylsulfonyl]ethylammonium IUPAC Name: 2-[2-(2,3,6-trimethylphenoxy)ethylsulfonyl]ethylazanium Traditional Name: 2-[2-(2,3,6-trimethylphenoxy)ethylsulfonyl]ethylammonium Formula: C13H22NO3S+ MolecularWeight: 272.38368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCS(=O)(=O)CC[NH3+])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCS(=O)(=O)CC[NH3+])C

InChI

InChI=1S/C13H21NO3S/c1-10-4-5-11(2)13(12(10)3)17-7-9-18(15,16)8-6-14/h4-5H,6-9,14H2,1-3H3/p+1