dimethyl-[(1S)-2-[[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]azaniumyl]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]azaniumyl]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[[(2S)-2-hydroxy-3-(2-thienylmethoxy)propyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]ammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2S)-2-hydroxy-3-(2-thenyloxy)propyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H28N2O2S+2 MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC(COCC1=CC=CS1)O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]C[C@@H](COCC1=CC=CS1)O)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O2S/c1-20(2)18(15-7-4-3-5-8-15)12-19-11-16(21)13-22-14-17-9-6-10-23-17/h3-10,16,18-19,21H,11-14H2,1-2H3/p+2/t16-,18+/m0/s1