dimethyl-[[4-[[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[(E)-3-(3-thienyl)prop-2-enoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[(E)-1-oxo-3-(3-thiophenyl)prop-2-enyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[[(E)-3-(3-thienyl)acryloyl]amino]methyl]benzyl]ammonium Formula: C17H21N2OS+ MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C17H20N2OS/c1-19(2)12-15-5-3-14(4-6-15)11-18-17(20)8-7-16-9-10-21-13-16/h3-10,13H,11-12H2,1-2H3,(H,18,20)/p+1/b8-7+