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

Systemtic Name: [(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-phenethyl-azanium Openeye Name: [(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-phenethyl-ammonium CAS Name: [(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-phenethylammonium IUPAC Name: [(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-phenethylazanium Traditional Name: [(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-phenethyl-ammonium Formula: C22H21ClNS+ MolecularWeight: 366.92684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)[NH2+]CCC4=CC=CC=C4

Isomeric SMILES

C1[C@H](C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)[NH2+]CCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClNS/c23-18-10-11-21-17(14-18)15-20(19-8-4-5-9-22(19)25-21)24-13-12-16-6-2-1-3-7-16/h1-11,14,20,24H,12-13,15H2/p+1/t20-/m1/s1