1-[2-[2,3-bis(oxidanyl)propylamino]ethylamino]-4-methyl-thioxanthen-9-one chloride

Systemtic Name: 1-[2-[2,3-bis(oxidanyl)propylamino]ethylamino]-4-methyl-thioxanthen-9-one chloride Openeye Name: 1-[2-(2,3-dihydroxypropylamino)ethylamino]-4-methyl-thioxanthen-9-one chloride CAS Name: 1-[2-(2,3-dihydroxypropylamino)ethylamino]-4-methyl-9-thioxanthenone chloride IUPAC Name: 1-[2-(2,3-dihydroxypropylamino)ethylamino]-4-methylthioxanthen-9-one chloride Traditional Name: 1-[2-(glycerylamino)ethylamino]-4-methyl-thioxanthen-9-one chloride Formula: C19H22ClN2O3S- MolecularWeight: 393.90758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCNCC(CO)O)C(=O)C3=CC=CC=C3S2.[Cl-]

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCNCC(CO)O)C(=O)C3=CC=CC=C3S2.[Cl-]

InChI

InChI=1S/C19H22N2O3S.ClH/c1-12-6-7-15(21-9-8-20-10-13(23)11-22)17-18(24)14-4-2-3-5-16(14)25-19(12)17;/h2-7,13,20-23H,8-11H2,1H3;1H/p-1