(5S)-8-chloranyl-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride

Systemtic Name: (5S)-8-chloranyl-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride Openeye Name: (5S)-8-chloro-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride CAS Name: (5S)-8-chloro-5-phenyl-4-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride IUPAC Name: (5S)-8-chloro-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride Traditional Name: (5S)-8-chloro-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride Formula: C22H27Cl2NO2 MolecularWeight: 408.36128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2CCOC3=C(C2(C4=CC=CC=C4)O)C=CC(=C3)Cl.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2CCOC3=C([C@]2(C4=CC=CC=C4)O)C=CC(=C3)Cl.[Cl-]

InChI

InChI=1S/C22H26ClNO2.ClH/c23-19-9-10-20-21(15-19)26-14-11-18(16-24-12-5-2-6-13-24)22(20,25)17-7-3-1-4-8-17;/h1,3-4,7-10,15,18,25H,2,5-6,11-14,16H2;1H/t18?,22-;/m1./s1