3-methyl-5-[[(2-oxidanyl-3-phenoxy-cyclopentyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride

Systemtic Name: 3-methyl-5-[[(2-oxidanyl-3-phenoxy-cyclopentyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[(2-hydroxy-3-phenoxy-cyclopentyl)amino]methyl]-3-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[(2-hydroxy-3-phenoxycyclopentyl)amino]methyl]-3-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[(2-hydroxy-3-phenoxycyclopentyl)amino]methyl]-3-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[(2-hydroxy-3-phenoxy-cyclopentyl)amino]methyl]-3-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=C1C(=O)C(CC2)CNC3CCC(C3O)OC4=CC=CC=C4.Cl

Isomeric SMILES

CC1=CSC2=C1C(=O)C(CC2)CNC3CCC(C3O)OC4=CC=CC=C4.Cl

InChI

InChI=1S/C21H25NO3S.ClH/c1-13-12-26-18-10-7-14(20(23)19(13)18)11-22-16-8-9-17(21(16)24)25-15-5-3-2-4-6-15;/h2-6,12,14,16-17,21-22,24H,7-11H2,1H3;1H