[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(2-thienylmethyl)ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(2-thenyl)ammonium Formula: C16H20NO3S+ MolecularWeight: 306.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH2+]CC2=CC=CS2)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH2+]CC2=CC=CS2)O

InChI

InChI=1S/C16H19NO3S/c1-12(18)13-4-6-15(7-5-13)20-11-14(19)9-17-10-16-3-2-8-21-16/h2-8,14,17,19H,9-11H2,1H3/p+1/t14-/m0/s1