3-(9-chloranyl-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl-oxidanidyl-azanium

Systemtic Name: 3-(9-chloranyl-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl-oxidanidyl-azanium Openeye Name: 3-(9-chloro-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl-oxido-ammonium CAS Name: 3-(9-chloro-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl-oxidoammonium IUPAC Name: 3-(9-chloro-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl-oxidoazanium Traditional Name: 3-(9-chloro-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl-oxido-ammonium Formula: C18H17ClN2OS MolecularWeight: 344.85838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)Cl)C(C3=CC=CC=C3S1)(CCC[NH2+][O-])C#N

Isomeric SMILES

C1C2=C(C=C(C=C2)Cl)C(C3=CC=CC=C3S1)(CCC[NH2+][O-])C#N

InChI

InChI=1S/C18H17ClN2OS/c19-14-7-6-13-11-23-17-5-2-1-4-15(17)18(12-20,16(13)10-14)8-3-9-21-22/h1-2,4-7,10H,3,8-9,11,21H2