7-methyl-4-[(3-methylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride

Systemtic Name: 7-methyl-4-[(3-methylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride Openeye Name: 7-methyl-4-[(3-methylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride CAS Name: 7-methyl-4-[(3-methyl-1-piperidin-1-iumyl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride IUPAC Name: 7-methyl-4-[(3-methylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride Traditional Name: 7-methyl-4-[(3-methylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride Formula: C18H26ClNO2 MolecularWeight: 323.85754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2CCOC3=C(C2=O)C=C(C=C3)C.[Cl-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2CCOC3=C(C2=O)C=C(C=C3)C.[Cl-]

InChI

InChI=1S/C18H25NO2.ClH/c1-13-5-6-17-16(10-13)18(20)15(7-9-21-17)12-19-8-3-4-14(2)11-19;/h5-6,10,14-15H,3-4,7-9,11-12H2,1-2H3;1H