N,N-dimethyl-4-[(E)-2-(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)ethenyl]aniline bromide

Systemtic Name: N,N-dimethyl-4-[(E)-2-(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)ethenyl]aniline bromide Openeye Name: 4-[(E)-2-(3-allyl-4-methyl-thiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline bromide CAS Name: N,N-dimethyl-4-[(E)-2-(4-methyl-3-prop-2-enyl-2-thiazol-3-iumyl)ethenyl]aniline bromide IUPAC Name: N,N-dimethyl-4-[(E)-2-(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)ethenyl]aniline bromide Traditional Name: [4-[(E)-2-(3-allyl-4-methyl-thiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine bromide Formula: C17H21BrN2S MolecularWeight: 365.33104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1CC=C)C=CC2=CC=C(C=C2)N(C)C.[Br-]

Isomeric SMILES

CC1=CSC(=[N+]1CC=C)/C=C/C2=CC=C(C=C2)N(C)C.[Br-]

InChI

InChI=1S/C17H21N2S.BrH/c1-5-12-19-14(2)13-20-17(19)11-8-15-6-9-16(10-7-15)18(3)4;/h5-11,13H,1,12H2,2-4H3;1H/q+1;/p-1