dimethyl-[(1R)-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]-1-thiophen-2-yl-ethyl]azanium Openeye Name: [(1R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]ammonio]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C17H26N2O2S+2 MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC(COC1=CC=CC=C1)O)C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]C[C@H](COC1=CC=CC=C1)O)C2=CC=CS2

InChI

InChI=1S/C17H24N2O2S/c1-19(2)16(17-9-6-10-22-17)12-18-11-14(20)13-21-15-7-4-3-5-8-15/h3-10,14,16,18,20H,11-13H2,1-2H3/p+2/t14-,16-/m1/s1