[(3R)-1-(1-benzothiophen-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-(1-benzothiophen-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-(benzothiophen-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-(1-benzothiophen-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-(1-benzothiophen-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(benzothiophen-2-ylmethyl)-3-m-anisyl-piperidin-1-ium-3-yl]methanol Formula: C23H28NO2S+ MolecularWeight: 382.53892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC[NH+](C2)CC3=CC4=CC=CC=C4S3)CO

Isomeric SMILES

COC1=CC=CC(=C1)C[C@@]2(CCC[NH+](C2)CC3=CC4=CC=CC=C4S3)CO

InChI

InChI=1S/C23H27NO2S/c1-26-20-8-4-6-18(12-20)14-23(17-25)10-5-11-24(16-23)15-21-13-19-7-2-3-9-22(19)27-21/h2-4,6-9,12-13,25H,5,10-11,14-17H2,1H3/p+1/t23-/m1/s1