methane; 1-[2-oxidanyl-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one; chloride

Systemtic Name: methane; 1-[2-oxidanyl-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one; chloride Openeye Name: 1-[2-hydroxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one; methane; chloride CAS Name: 1-[2-hydroxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-1-butanone; methane; chloride IUPAC Name: 1-[2-hydroxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one; methane; chloride Traditional Name: 1-[2-hydroxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one; methane; chloride Formula: C18H30ClNO3 MolecularWeight: 343.8887

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Descriptors Computed from Structure

Canonical SMILES:

C.CCCC(=O)C1=C(C=C(C=C1)OCC[NH+]2CCCCC2)O.[Cl-]

Isomeric SMILES

C.CCCC(=O)C1=C(C=C(C=C1)OCC[NH+]2CCCCC2)O.[Cl-]

InChI

InChI=1S/C17H25NO3.CH4.ClH/c1-2-6-16(19)15-8-7-14(13-17(15)20)21-12-11-18-9-4-3-5-10-18;;/h7-8,13,20H,2-6,9-12H2,1H3;1H4;1H