3-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidin-3-ium

Systemtic Name: 3-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 3-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 3-methyl-2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 3-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 3-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC2=[N+](CCCN2)C

Isomeric SMILES

CC1=C(SC=C1)/C=C/C2=[N+](CCCN2)C

InChI

InChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/p+1/b5-4+