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

Systemtic Name: 7,8-dimethyl-4-piperidin-1-ium-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one chloride Openeye Name: 7,8-dimethyl-4-piperidin-1-ium-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one chloride CAS Name: 7,8-dimethyl-4-(1-piperidin-1-iumyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride IUPAC Name: 7,8-dimethyl-4-piperidin-1-ium-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one chloride Traditional Name: 7,8-dimethyl-4-piperidin-1-ium-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one chloride Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2.ClH/c1-12-10-14-16(11-13(12)2)20-9-6-15(17(14)19)18-7-4-3-5-8-18;/h10-11,15H,3-9H2,1-2H3;1H