(2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propan-2-ol Openeye Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propan-2-ol CAS Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propan-2-ol Traditional Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propan-2-ol Formula: C16H25ClNO3+ MolecularWeight: 314.8276

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC(COC2=CC(=C(C=C2)Cl)C)O

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)C[C@@H](COC2=CC(=C(C=C2)Cl)C)O

InChI

InChI=1S/C16H24ClNO3/c1-11-6-15(4-5-16(11)17)20-10-14(19)9-18-7-12(2)21-13(3)8-18/h4-6,12-14,19H,7-10H2,1-3H3/p+1/t12-,13-,14+/m1/s1