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

Systemtic Name: 2-[(E)-2-(5-chloranylthiophen-2-yl)ethenyl]-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-[(E)-2-(5-chloro-2-thienyl)vinyl]-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-[(E)-2-(5-chloro-2-thiophenyl)ethenyl]-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-[(E)-2-(5-chloro-2-thienyl)vinyl]-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C11H14ClN2S+ MolecularWeight: 241.76026

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NCCC1)C=CC2=CC=C(S2)Cl

Isomeric SMILES

C[N+]1=C(NCCC1)/C=C/C2=CC=C(S2)Cl

InChI

InChI=1S/C11H13ClN2S/c1-14-8-2-7-13-11(14)6-4-9-3-5-10(12)15-9/h3-6H,2,7-8H2,1H3/p+1/b6-4+