2-methyl-1-(1-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile

Systemtic Name: 2-methyl-1-(1-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile Openeye Name: 2-methyl-1-[1-(2-thienyl)hexyl]piperazin-1-ium-1-carbonitrile CAS Name: 2-methyl-1-(1-thiophen-2-ylhexyl)-1-piperazin-1-iumcarbonitrile IUPAC Name: 2-methyl-1-(1-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile Traditional Name: 2-methyl-1-[1-(2-thienyl)hexyl]piperazin-1-ium-1-carbonitrile Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CS1)[N+]2(CCNCC2C)C#N

Isomeric SMILES

CCCCCC(C1=CC=CS1)[N+]2(CCNCC2C)C#N

InChI

InChI=1S/C16H26N3S/c1-3-4-5-7-15(16-8-6-11-20-16)19(13-17)10-9-18-12-14(19)2/h6,8,11,14-15,18H,3-5,7,9-10,12H2,1-2H3/q+1