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1-[3-(dimethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one hydrate dihydrochloride

1-[3-(dimethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one hydrate dihydrochloride

Systemtic Name:1-[3-(dimethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one hydrate dihydrochloride
Openeye Name:1-[3-(dimethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one hydrate dihydrochloride
CAS Name:1-[3-(dimethylamino)propylamino]-4-(methylaminomethyl)-9-thioxanthenone hydrate dihydrochloride
IUPAC Name:1-[3-(dimethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one hydrate dihydrochloride
Traditional Name:1-[3-(dimethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one hydrate dihydrochloride
Formula: C20H29Cl2N3O2S
MolecularWeight: 446.43416
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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C2C(=C(C=C1)NCCCN(C)C)C(=O)C3=CC=CC=C3S2.O.Cl.Cl


Isomeric SMILES

CNCC1=C2C(=C(C=C1)NCCCN(C)C)C(=O)C3=CC=CC=C3S2.O.Cl.Cl


InChI

InChI=1S/C20H25N3OS.2ClH.H2O/c1-21-13-14-9-10-16(22-11-6-12-23(2)3)18-19(24)15-7-4-5-8-17(15)25-20(14)18;;;/h4-5,7-10,21-22H,6,11-13H2,1-3H3;2*1H;1H2


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