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

Systemtic Name: [(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-methyl-(2-thenyl)ammonium Formula: C17H22NO3S+ MolecularWeight: 320.42648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-13(19)14-5-7-16(8-6-14)21-12-15(20)10-18(2)11-17-4-3-9-22-17/h3-9,15,20H,10-12H2,1-2H3/p+1/t15-/m0/s1