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

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

CC1CC[NH+](CC1)CC2CCOC3=C(C2=O)C=C(C=C3)C.[Cl-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2CCOC3=C(C2=O)C=C(C=C3)C.[Cl-]

InChI

InChI=1S/C18H25NO2.ClH/c1-13-5-8-19(9-6-13)12-15-7-10-21-17-4-3-14(2)11-16(17)18(15)20;/h3-4,11,13,15H,5-10,12H2,1-2H3;1H