2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylsulfonyl]ethylazanium

Systemtic Name: 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylsulfonyl]ethylazanium Openeye Name: 2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylsulfonyl]ethylammonium CAS Name: 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylsulfonyl]ethylammonium IUPAC Name: 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylsulfonyl]ethylazanium Traditional Name: 2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylsulfonyl]ethylammonium Formula: C12H19ClNO3S+ MolecularWeight: 292.80216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCS(=O)(=O)CC[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCS(=O)(=O)CC[NH3+]

InChI

InChI=1S/C12H18ClNO3S/c1-9-7-11(8-10(2)12(9)13)17-4-6-18(15,16)5-3-14/h7-8H,3-6,14H2,1-2H3/p+1