4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride

Systemtic Name: 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride Openeye Name: 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride CAS Name: 4-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride IUPAC Name: 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride Formula: C16H22ClNOS MolecularWeight: 311.86998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2CCSC3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2CCSC3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C16H21NOS.ClH/c18-16-13(12-17-9-4-1-5-10-17)8-11-19-15-7-3-2-6-14(15)16;/h2-3,6-7,13H,1,4-5,8-12H2;1H