[(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]-(2-thienylmethyl)ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-3-(4-cumylphenoxy)-2-hydroxy-propyl]-(2-thenyl)ammonium Formula: C23H28NO2S+ MolecularWeight: 382.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(C[NH2+]CC3=CC=CS3)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC[C@H](C[NH2+]CC3=CC=CS3)O

InChI

InChI=1S/C23H27NO2S/c1-23(2,18-7-4-3-5-8-18)19-10-12-21(13-11-19)26-17-20(25)15-24-16-22-9-6-14-27-22/h3-14,20,24-25H,15-17H2,1-2H3/p+1/t20-/m0/s1