(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methyl-azanium chloride

Systemtic Name: (2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methyl-azanium chloride Openeye Name: (2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methyl-ammonium chloride CAS Name: (2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methylammonium chloride IUPAC Name: (2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methylazanium chloride Traditional Name: (2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methyl-ammonium chloride Formula: C17H20ClNO2S MolecularWeight: 337.8642

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CC2=CC(=C(C=C2SC3=CC=CC=C13)OC)OC.[Cl-]

Isomeric SMILES

C[NH2+]C1CC2=CC(=C(C=C2SC3=CC=CC=C13)OC)OC.[Cl-]

InChI

InChI=1S/C17H19NO2S.ClH/c1-18-13-8-11-9-14(19-2)15(20-3)10-17(11)21-16-7-5-4-6-12(13)16;/h4-7,9-10,13,18H,8H2,1-3H3;1H