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

Systemtic Name: 1-prop-2-enyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium Openeye Name: 1-allyl-7-[2-(2-thienyl)ethynyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium CAS Name: 1-prop-2-enyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium IUPAC Name: 1-prop-2-enyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium Traditional Name: 1-allyl-7-[2-(2-thienyl)ethynyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium Formula: C15H18NS+ MolecularWeight: 244.37512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18NS/c1-2-11-16-12-5-3-4-7-14(16)9-10-15-8-6-13-17-15/h2,6,8,13H,1,3-5,7,11-12H2/q+1