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

Systemtic Name: methyl-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methyl-(2-thenyl)ammonium Formula: C16H22NO2S+ MolecularWeight: 292.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+](C)CC2=CC=CS2)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH+](C)CC2=CC=CS2)O

InChI

InChI=1S/C16H21NO2S/c1-13-5-3-6-15(9-13)19-12-14(18)10-17(2)11-16-7-4-8-20-16/h3-9,14,18H,10-12H2,1-2H3/p+1/t14-/m0/s1