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

Systemtic Name: 7-methyl-4-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Openeye Name: 7-methyl-4-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride CAS Name: 7-methyl-4-(4-morpholin-4-iumylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride IUPAC Name: 7-methyl-4-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Traditional Name: 7-methyl-4-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCOCC3.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCOCC3.[Cl-]

InChI

InChI=1S/C16H21NO3.ClH/c1-12-2-3-15-14(10-12)16(18)13(4-7-20-15)11-17-5-8-19-9-6-17;/h2-3,10,13H,4-9,11H2,1H3;1H