4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one chloride

Systemtic Name: 4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one chloride Openeye Name: 4-methyl-1-[2-(1-piperidyl)ethylamino]thioxanthen-9-one chloride CAS Name: 4-methyl-1-[2-(1-piperidinyl)ethylamino]-9-thioxanthenone chloride IUPAC Name: 4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one chloride Traditional Name: 4-methyl-1-(2-piperidinoethylamino)thioxanthen-9-one chloride Formula: C21H24ClN2OS- MolecularWeight: 387.94606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=CC=CC=C4S2.[Cl-]

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=CC=CC=C4S2.[Cl-]

InChI

InChI=1S/C21H24N2OS.ClH/c1-15-9-10-17(22-11-14-23-12-5-2-6-13-23)19-20(24)16-7-3-4-8-18(16)25-21(15)19;/h3-4,7-10,22H,2,5-6,11-14H2,1H3;1H/p-1