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

Systemtic Name: (2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-isopropylphenoxy)propan-2-ol CAS Name: (2S)-1-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-3-(4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-isopropylphenoxy)propan-2-ol Formula: C19H32NO2+ MolecularWeight: 306.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(COC2=CC=C(C=C2)C(C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO2/c1-14(2)17-8-10-19(11-9-17)22-13-18(21)12-20-15(3)6-5-7-16(20)4/h8-11,14-16,18,21H,5-7,12-13H2,1-4H3/p+1/t15-,16-,18-/m0/s1