[2,2-dimethyl-3-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[[(E)-3-[4-(methylthio)phenyl]acryloyl]amino]propyl]-dimethyl-ammonium Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(CNC(=O)/C=C/C1=CC=C(C=C1)SC)C[NH+](C)C

InChI

InChI=1S/C17H26N2OS/c1-17(2,13-19(3)4)12-18-16(20)11-8-14-6-9-15(21-5)10-7-14/h6-11H,12-13H2,1-5H3,(H,18,20)/p+1/b11-8+