(2S)-1-(3-ethylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-ethylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3-ethylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(3-ethylphenoxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(3-ethylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3-ethylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)C)O

InChI

InChI=1S/C17H27NO2/c1-3-15-5-4-6-17(11-15)20-13-16(19)12-18-9-7-14(2)8-10-18/h4-6,11,14,16,19H,3,7-10,12-13H2,1-2H3/p+1/t16-/m0/s1