dimethyl-[(1S)-1-phenyl-2-(4-thiophen-2-ylbutanoylamino)ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-(4-thiophen-2-ylbutanoylamino)ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[4-(2-thienyl)butanoylamino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-(4-thiophen-2-ylbutanoylamino)ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[4-(2-thienyl)butanoylamino]ethyl]ammonium Formula: C18H25N2OS+ MolecularWeight: 317.4689

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCCC1=CC=CS1)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCCC1=CC=CS1)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2OS/c1-20(2)17(15-8-4-3-5-9-15)14-19-18(21)12-6-10-16-11-7-13-22-16/h3-5,7-9,11,13,17H,6,10,12,14H2,1-2H3,(H,19,21)/p+1/t17-/m1/s1