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

Systemtic Name: 5-[[[3-(2,3-dimethylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[3-(2,3-dimethylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[3-(2,3-dimethylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[3-(2,3-dimethylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[3-(2,3-dimethylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C23H30ClNO3S MolecularWeight: 436.0072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C)C.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C)C.Cl

InChI

InChI=1S/C23H29NO3S.ClH/c1-13-5-4-6-19(15(13)3)27-20-9-8-18(23(20)26)24-12-16-7-10-21-17(22(16)25)11-14(2)28-21;/h4-6,11,16,18,20,23-24,26H,7-10,12H2,1-3H3;1H