(3-methylthiophen-2-yl)methyl-[(2S)-2-oxidanylpropyl]-(phenylmethyl)azanium

Systemtic Name: (3-methylthiophen-2-yl)methyl-[(2S)-2-oxidanylpropyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: benzyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium Formula: C16H22NOS+ MolecularWeight: 276.41698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](CC2=CC=CC=C2)CC(C)O

Isomeric SMILES

CC1=C(SC=C1)C[NH+](CC2=CC=CC=C2)C[C@H](C)O

InChI

InChI=1S/C16H21NOS/c1-13-8-9-19-16(13)12-17(10-14(2)18)11-15-6-4-3-5-7-15/h3-9,14,18H,10-12H2,1-2H3/p+1/t14-/m0/s1