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

Systemtic Name: 2-methyl-5-[[(2-oxidanyl-3-phenoxy-cyclopentyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol hydrochloride Openeye Name: 5-[[(2-hydroxy-3-phenoxy-cyclopentyl)amino]methyl]-2-methyl-4,5,6,7-tetrahydrobenzothiophen-4-ol hydrochloride CAS Name: 5-[[(2-hydroxy-3-phenoxycyclopentyl)amino]methyl]-2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-ol hydrochloride IUPAC Name: 5-[[(2-hydroxy-3-phenoxycyclopentyl)amino]methyl]-2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-ol hydrochloride Traditional Name: 5-[[(2-hydroxy-3-phenoxy-cyclopentyl)amino]methyl]-2-methyl-4,5,6,7-tetrahydrobenzothiophen-4-ol hydrochloride Formula: C21H28ClNO3S MolecularWeight: 409.96992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(C2O)CNC3CCC(C3O)OC4=CC=CC=C4.Cl

Isomeric SMILES

CC1=CC2=C(S1)CCC(C2O)CNC3CCC(C3O)OC4=CC=CC=C4.Cl

InChI

InChI=1S/C21H27NO3S.ClH/c1-13-11-16-19(26-13)10-7-14(20(16)23)12-22-17-8-9-18(21(17)24)25-15-5-3-2-4-6-15;/h2-6,11,14,17-18,20-24H,7-10,12H2,1H3;1H