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

Systemtic Name: 7-methoxy-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Openeye Name: 7-methoxy-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride CAS Name: 7-methoxy-4-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride IUPAC Name: 7-methoxy-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Traditional Name: 7-methoxy-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Formula: C17H24ClNO3 MolecularWeight: 325.83036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C17H23NO3.ClH/c1-20-14-5-6-16-15(11-14)17(19)13(7-10-21-16)12-18-8-3-2-4-9-18;/h5-6,11,13H,2-4,7-10,12H2,1H3;1H