1-methyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium

Systemtic Name: 1-methyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium Openeye Name: 1-methyl-7-[2-(2-thienyl)ethynyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium CAS Name: 1-methyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium IUPAC Name: 1-methyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium Traditional Name: 1-methyl-7-[2-(2-thienyl)ethynyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium Formula: C13H16NS+ MolecularWeight: 218.33784

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(CCCCC1)C#CC2=CC=CS2

Isomeric SMILES

C[N+]1=C(CCCCC1)C#CC2=CC=CS2

InChI

InChI=1S/C13H16NS/c1-14-10-4-2-3-6-12(14)8-9-13-7-5-11-15-13/h5,7,11H,2-4,6,10H2,1H3/q+1