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

Systemtic Name: (3S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)piperidin-1-ium Openeye Name: (3S)-3-(4-chloro-3,5-dimethyl-phenoxy)piperidin-1-ium CAS Name: (3S)-3-(4-chloro-3,5-dimethylphenoxy)piperidin-1-ium IUPAC Name: (3S)-3-(4-chloro-3,5-dimethylphenoxy)piperidin-1-ium Traditional Name: (3S)-3-(4-chloro-3,5-dimethyl-phenoxy)piperidin-1-ium Formula: C13H19ClNO+ MolecularWeight: 240.74906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2CCC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO/c1-9-6-12(7-10(2)13(9)14)16-11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3/p+1/t11-/m0/s1