(2S)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-[(2S)-2-methyl-1-piperidin-1-iumyl]-3-(2,4,6-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(COC2=C(C=C(C=C2C)C)C)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@@H](COC2=C(C=C(C=C2C)C)C)O

InChI

InChI=1S/C18H29NO2/c1-13-9-14(2)18(15(3)10-13)21-12-17(20)11-19-8-6-5-7-16(19)4/h9-10,16-17,20H,5-8,11-12H2,1-4H3/p+1/t16-,17-/m0/s1