(3S)-3-[2,4-bis(chloranyl)-3,5-dimethyl-phenoxy]pyrrolidin-1-ium

Systemtic Name: (3S)-3-[2,4-bis(chloranyl)-3,5-dimethyl-phenoxy]pyrrolidin-1-ium Openeye Name: (3S)-3-(2,4-dichloro-3,5-dimethyl-phenoxy)pyrrolidin-1-ium CAS Name: (3S)-3-(2,4-dichloro-3,5-dimethylphenoxy)pyrrolidin-1-ium IUPAC Name: (3S)-3-(2,4-dichloro-3,5-dimethylphenoxy)pyrrolidin-1-ium Traditional Name: (3S)-3-(2,4-dichloro-3,5-dimethyl-phenoxy)pyrrolidin-1-ium Formula: C12H16Cl2NO+ MolecularWeight: 261.16754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Cl)OC2CC[NH2+]C2

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Cl)O[C@H]2CC[NH2+]C2

InChI

InChI=1S/C12H15Cl2NO/c1-7-5-10(12(14)8(2)11(7)13)16-9-3-4-15-6-9/h5,9,15H,3-4,6H2,1-2H3/p+1/t9-/m0/s1