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

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

CC1=C(C=C2C(=C1)C(=O)C(CCO2)C[NH+]3CCOCC3)C.[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(CCO2)C[NH+]3CCOCC3)C.[Cl-]

InChI

InChI=1S/C17H23NO3.ClH/c1-12-9-15-16(10-13(12)2)21-6-3-14(17(15)19)11-18-4-7-20-8-5-18;/h9-10,14H,3-8,11H2,1-2H3;1H