(3S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)pyrrolidin-1-ium

Systemtic Name: (3S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)pyrrolidin-1-ium Openeye Name: (3S)-3-(4-chloro-3,5-dimethyl-phenoxy)pyrrolidin-1-ium CAS Name: (3S)-3-(4-chloro-3,5-dimethylphenoxy)pyrrolidin-1-ium IUPAC Name: (3S)-3-(4-chloro-3,5-dimethylphenoxy)pyrrolidin-1-ium Traditional Name: (3S)-3-(4-chloro-3,5-dimethyl-phenoxy)pyrrolidin-1-ium Formula: C12H17ClNO+ MolecularWeight: 226.72248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO/c1-8-5-11(6-9(2)12(8)13)15-10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3/p+1/t10-/m0/s1