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

Systemtic Name: (3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-methyl-azanium chloride Openeye Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-methyl-ammonium chloride CAS Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-methylammonium chloride IUPAC Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-methylazanium chloride Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-methyl-ammonium chloride Formula: C15H15Cl2NS MolecularWeight: 312.2573

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C[NH2+]C1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C15H14ClNS.ClH/c1-17-13-8-10-4-2-3-5-14(10)18-15-7-6-11(16)9-12(13)15;/h2-7,9,13,17H,8H2,1H3;1H