[3-(3-chloranyl-6H-benzo[b][1,4]benzothiazepin-5-yl)-3-oxidanylidene-propyl]-dimethyl-sulfanium

Systemtic Name: [3-(3-chloranyl-6H-benzo[b][1,4]benzothiazepin-5-yl)-3-oxidanylidene-propyl]-dimethyl-sulfanium Openeye Name: [3-(3-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)-3-oxo-propyl]-dimethyl-sulfonium CAS Name: [3-(3-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)-3-oxopropyl]-dimethylsulfonium IUPAC Name: [3-(3-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)-3-oxopropyl]-dimethylsulfanium Traditional Name: [3-(3-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)-3-keto-propyl]-dimethyl-sulfonium Formula: C18H19ClNOS2+ MolecularWeight: 364.93256

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCC(=O)N1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

C[S+](C)CCC(=O)N1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C18H19ClNOS2/c1-23(2)10-9-18(21)20-12-13-5-3-4-6-16(13)22-17-8-7-14(19)11-15(17)20/h3-8,11H,9-10,12H2,1-2H3/q+1