4-[4-(5-cyanothiophen-2-yl)hexyl]-2-methyl-1-(2-phenoxyethyl)piperazin-1-ium-1-carbonitrile

Systemtic Name: 4-[4-(5-cyanothiophen-2-yl)hexyl]-2-methyl-1-(2-phenoxyethyl)piperazin-1-ium-1-carbonitrile Openeye Name: 4-[4-(5-cyano-2-thienyl)hexyl]-2-methyl-1-(2-phenoxyethyl)piperazin-1-ium-1-carbonitrile CAS Name: 4-[4-(5-cyano-2-thiophenyl)hexyl]-2-methyl-1-(2-phenoxyethyl)-1-piperazin-1-iumcarbonitrile IUPAC Name: 4-[4-(5-cyanothiophen-2-yl)hexyl]-2-methyl-1-(2-phenoxyethyl)piperazin-1-ium-1-carbonitrile Traditional Name: 4-[4-(5-cyano-2-thienyl)hexyl]-2-methyl-1-(2-phenoxyethyl)piperazin-1-ium-1-carbonitrile Formula: C25H33N4OS+ MolecularWeight: 437.62072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1CC[N+](C(C1)C)(CCOC2=CC=CC=C2)C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CCC(CCCN1CC[N+](C(C1)C)(CCOC2=CC=CC=C2)C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C25H33N4OS/c1-3-22(25-12-11-24(18-26)31-25)8-7-13-28-14-15-29(20-27,21(2)19-28)16-17-30-23-9-5-4-6-10-23/h4-6,9-12,21-22H,3,7-8,13-17,19H2,1-2H3/q+1