2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxyethyl-dimethyl-azanium

Systemtic Name: 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxyethyl-dimethyl-azanium Openeye Name: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxyethyl-dimethyl-ammonium CAS Name: 2-[(3-chloro-5-benzo[b][1]benzothiepinyl)oxy]ethyl-dimethylammonium IUPAC Name: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxyethyl-dimethylazanium Traditional Name: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxyethyl-dimethyl-ammonium Formula: C18H19ClNOS+ MolecularWeight: 332.86756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3/p+1