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

Systemtic Name: (4-acetyloxyphenyl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (4-acetoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (4-acetyloxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (4-acetyloxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (4-acetoxybenzyl)-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium Formula: C18H24NO3S+ MolecularWeight: 334.45306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3S/c1-13-8-9-23-18(13)12-19(10-14(2)20)11-16-4-6-17(7-5-16)22-15(3)21/h4-9,14,20H,10-12H2,1-3H3/p+1/t14-/m0/s1