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

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

CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCCC3.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCCC3.[Cl-]

InChI

InChI=1S/C18H25NO2.ClH/c1-14-6-7-17-16(12-14)18(20)15(8-11-21-17)13-19-9-4-2-3-5-10-19;/h6-7,12,15H,2-5,8-11,13H2,1H3;1H