7-chloranyl-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride

Systemtic Name: 7-chloranyl-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride Openeye Name: 7-chloro-2-(piperidin-1-ium-1-ylmethyl)tetralin-1-one chloride CAS Name: 7-chloro-2-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride IUPAC Name: 7-chloro-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride Traditional Name: 7-chloro-2-(piperidin-1-ium-1-ylmethyl)tetralin-1-one chloride Formula: C16H21Cl2NO MolecularWeight: 314.25004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2CCC3=C(C2=O)C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2CCC3=C(C2=O)C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C16H20ClNO.ClH/c17-14-7-6-12-4-5-13(16(19)15(12)10-14)11-18-8-2-1-3-9-18;/h6-7,10,13H,1-5,8-9,11H2;1H