2-(piperidin-1-ium-1-ylmethyl)-1-(4-propoxyphenyl)butan-1-one chloride

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-1-(4-propoxyphenyl)butan-1-one chloride Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-1-(4-propoxyphenyl)butan-1-one chloride CAS Name: 2-(1-piperidin-1-iumylmethyl)-1-(4-propoxyphenyl)-1-butanone chloride IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-1-(4-propoxyphenyl)butan-1-one chloride Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-1-(4-propoxyphenyl)butan-1-one chloride Formula: C19H30ClNO2 MolecularWeight: 339.9

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO2.ClH/c1-3-14-22-18-10-8-17(9-11-18)19(21)16(4-2)15-20-12-6-5-7-13-20;/h8-11,16H,3-7,12-15H2,1-2H3;1H