1-(5-cyanothiophen-2-yl)-4-(5-methylhexyl)piperazin-1-ium-1-carbonitrile

Systemtic Name: 1-(5-cyanothiophen-2-yl)-4-(5-methylhexyl)piperazin-1-ium-1-carbonitrile Openeye Name: 1-(5-cyano-2-thienyl)-4-(5-methylhexyl)piperazin-1-ium-1-carbonitrile CAS Name: 1-(5-cyano-2-thiophenyl)-4-(5-methylhexyl)-1-piperazin-1-iumcarbonitrile IUPAC Name: 1-(5-cyanothiophen-2-yl)-4-(5-methylhexyl)piperazin-1-ium-1-carbonitrile Traditional Name: 1-(5-cyano-2-thienyl)-4-(5-methylhexyl)piperazin-1-ium-1-carbonitrile Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCN1CC[N+](CC1)(C#N)C2=CC=C(S2)C#N

Isomeric SMILES

CC(C)CCCCN1CC[N+](CC1)(C#N)C2=CC=C(S2)C#N

InChI

InChI=1S/C17H25N4S/c1-15(2)5-3-4-8-20-9-11-21(14-19,12-10-20)17-7-6-16(13-18)22-17/h6-7,15H,3-5,8-12H2,1-2H3/q+1