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

Systemtic Name: [(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)phenoxy]propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxy-propyl]-(2-thienylmethyl)ammonium CAS Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxy-propyl]-(2-thenyl)ammonium Formula: C21H22NO3S+ MolecularWeight: 368.46928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c23-18(13-22-14-20-7-4-12-26-20)15-25-19-10-8-17(9-11-19)21(24)16-5-2-1-3-6-16/h1-12,18,22-23H,13-15H2/p+1/t18-/m0/s1