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

Systemtic Name: [(6S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-diethyl-azanium Openeye Name: [(6S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-diethyl-ammonium CAS Name: [(6S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-diethylammonium IUPAC Name: [(6S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-diethylazanium Traditional Name: [(6S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-diethyl-ammonium Formula: C18H21ClNS+ MolecularWeight: 318.88404

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

CC[NH+](CC)[C@H]1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

InChI

InChI=1S/C18H20ClNS/c1-3-20(4-2)16-12-13-11-14(19)9-10-17(13)21-18-8-6-5-7-15(16)18/h5-11,16H,3-4,12H2,1-2H3/p+1/t16-/m0/s1