6-chloranyl-2-[(3-oxidanylpropylamino)methyl]xanthen-9-one hydrochloride

Systemtic Name: 6-chloranyl-2-[(3-oxidanylpropylamino)methyl]xanthen-9-one hydrochloride Openeye Name: 6-chloro-2-[(3-hydroxypropylamino)methyl]xanthen-9-one hydrochloride CAS Name: 6-chloro-2-[(3-hydroxypropylamino)methyl]-9-xanthenone hydrochloride IUPAC Name: 6-chloro-2-[(3-hydroxypropylamino)methyl]xanthen-9-one hydrochloride Traditional Name: 6-chloro-2-[(3-hydroxypropylamino)methyl]xanthone hydrochloride Formula: C17H17Cl2NO3 MolecularWeight: 354.22778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CNCCCO)C(=O)C3=C(O2)C=C(C=C3)Cl.Cl

Isomeric SMILES

C1=CC2=C(C=C1CNCCCO)C(=O)C3=C(O2)C=C(C=C3)Cl.Cl

InChI

InChI=1S/C17H16ClNO3.ClH/c18-12-3-4-13-16(9-12)22-15-5-2-11(8-14(15)17(13)21)10-19-6-1-7-20;/h2-5,8-9,19-20H,1,6-7,10H2;1H