(2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C16H25ClNO2+ MolecularWeight: 298.8282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C16H24ClNO2/c1-12-8-15(9-13(2)16(12)17)20-11-14(19)10-18-6-4-3-5-7-18/h8-9,14,19H,3-7,10-11H2,1-2H3/p+1/t14-/m0/s1