7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride

Systemtic Name: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Openeye Name: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride CAS Name: 7,8-dimethyl-4-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride IUPAC Name: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Traditional Name: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Formula: C18H26ClNO2 MolecularWeight: 323.85754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(CCO2)C[NH+]3CCCCC3)C.[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(CCO2)C[NH+]3CCCCC3)C.[Cl-]

InChI

InChI=1S/C18H25NO2.ClH/c1-13-10-16-17(11-14(13)2)21-9-6-15(18(16)20)12-19-7-4-3-5-8-19;/h10-11,15H,3-9,12H2,1-2H3;1H