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1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol benzoate

1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol benzoate

Systemtic Name:1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol benzoate
Openeye Name:1-(2-allylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol benzoate
CAS Name:1-(1-piperidin-1-iumyl)-3-(2-prop-2-enylphenoxy)-2-propanol benzoate
IUPAC Name:1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol benzoate
Traditional Name:1-(2-allylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol benzoate
Formula: C24H31NO4
MolecularWeight: 397.50724
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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(C[NH+]2CCCCC2)O.C1=CC=C(C=C1)C(=O)[O-]


Isomeric SMILES

C=CCC1=CC=CC=C1OCC(C[NH+]2CCCCC2)O.C1=CC=C(C=C1)C(=O)[O-]


InChI

InChI=1S/C17H25NO2.C7H6O2/c1-2-8-15-9-4-5-10-17(15)20-14-16(19)13-18-11-6-3-7-12-18;8-7(9)6-4-2-1-3-5-6/h2,4-5,9-10,16,19H,1,3,6-8,11-14H2;1-5H,(H,8,9)


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