3-(1-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one chloride

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one chloride Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one chloride CAS Name: 3-(1-methyl-1-piperidin-1-iumyl)-1-(4-propoxyphenyl)-1-propanone chloride IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one chloride Traditional Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CC[N+]2(CCCCC2)C.[Cl-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CC[N+]2(CCCCC2)C.[Cl-]

InChI

InChI=1S/C18H28NO2.ClH/c1-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19(2)12-5-4-6-13-19;/h7-10H,3-6,11-15H2,1-2H3;1H/q+1;/p-1