6-azanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-ol hydrate hydrochloride

Systemtic Name: 6-azanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-ol hydrate hydrochloride Openeye Name: 6-amino-5,6-dihydrobenzo[b][1]benzothiepin-5-ol hydrate hydrochloride CAS Name: 6-amino-5,6-dihydrobenzo[b][1]benzothiepin-5-ol hydrate hydrochloride IUPAC Name: 6-amino-5,6-dihydrobenzo[b][1]benzothiepin-5-ol hydrate hydrochloride Traditional Name: 6-amino-5,6-dihydrobenzo[b][1]benzothiepin-5-ol hydrate hydrochloride Formula: C14H16ClNO2S MolecularWeight: 297.80034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(C3=CC=CC=C3S2)O)N.O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(C(C3=CC=CC=C3S2)O)N.O.Cl

InChI

InChI=1S/C14H13NOS.ClH.H2O/c15-13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)14(13)16;;/h1-8,13-14,16H,15H2;1H;1H2