[(3R)-3-phenethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-3-phenethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-phenethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-phenethyl-1-[[5-(1-piperidin-1-iumylmethyl)-2-thiophenyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-phenethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-phenethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]methanol Formula: C25H38N2OS+2 MolecularWeight: 414.64702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(S2)C[NH+]3CCCC(C3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(S2)C[NH+]3CCC[C@@](C3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H36N2OS/c28-21-25(14-12-22-8-3-1-4-9-22)13-7-17-27(20-25)19-24-11-10-23(29-24)18-26-15-5-2-6-16-26/h1,3-4,8-11,28H,2,5-7,12-21H2/p+2/t25-/m0/s1