3-(4-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride

Systemtic Name: 3-(4-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride Openeye Name: 3-(4-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyl)isoxazole chloride CAS Name: 3-(4-methoxyphenyl)-5-[2-(1-piperidin-1-iumyl)ethyl]isoxazole chloride IUPAC Name: 3-(4-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride Traditional Name: 3-(4-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyl)isoxazole chloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CC[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CC[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C17H22N2O2.ClH/c1-20-15-7-5-14(6-8-15)17-13-16(21-18-17)9-12-19-10-3-2-4-11-19;/h5-8,13H,2-4,9-12H2,1H3;1H