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4-(3-azanylpentan-3-yl)-3-oxidanyl-thioxanthen-9-one hydrochloride

4-(3-azanylpentan-3-yl)-3-oxidanyl-thioxanthen-9-one hydrochloride

Systemtic Name:4-(3-azanylpentan-3-yl)-3-oxidanyl-thioxanthen-9-one hydrochloride
Openeye Name:4-(1-amino-1-ethyl-propyl)-3-hydroxy-thioxanthen-9-one hydrochloride
CAS Name:4-(3-aminopentan-3-yl)-3-hydroxy-9-thioxanthenone hydrochloride
IUPAC Name:4-(3-aminopentan-3-yl)-3-hydroxythioxanthen-9-one hydrochloride
Traditional Name:4-(1-amino-1-ethyl-propyl)-3-hydroxy-thioxanthen-9-one hydrochloride
Formula: C18H20ClNO2S
MolecularWeight: 349.8749
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=C(C=CC2=C1SC3=CC=CC=C3C2=O)O)N.Cl


Isomeric SMILES

CCC(CC)(C1=C(C=CC2=C1SC3=CC=CC=C3C2=O)O)N.Cl


InChI

InChI=1S/C18H19NO2S.ClH/c1-3-18(19,4-2)15-13(20)10-9-12-16(21)11-7-5-6-8-14(11)22-17(12)15;/h5-10,20H,3-4,19H2,1-2H3;1H


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