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

Systemtic Name: 5-[[[3-(2-methylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]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=CC=CC=C1OC2CCC(C2O)NCC3CCC4=C(C3=O)C=CS4.Cl

Isomeric SMILES

CC1=CC=CC=C1OC2CCC(C2O)NCC3CCC4=C(C3=O)C=CS4.Cl

InChI

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