1-(cyclohexylmethyl)-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile

Systemtic Name: 1-(cyclohexylmethyl)-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile Openeye Name: 1-(cyclohexylmethyl)-2-methyl-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-carbonitrile CAS Name: 1-(cyclohexylmethyl)-2-methyl-4-(4-thiophen-2-ylhexyl)-1-piperazin-1-iumcarbonitrile IUPAC Name: 1-(cyclohexylmethyl)-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile Traditional Name: 1-(cyclohexylmethyl)-2-methyl-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-carbonitrile Formula: C23H38N3S+ MolecularWeight: 388.63292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1CC[N+](C(C1)C)(CC2CCCCC2)C#N)C3=CC=CS3

Isomeric SMILES

CCC(CCCN1CC[N+](C(C1)C)(CC2CCCCC2)C#N)C3=CC=CS3

InChI

InChI=1S/C23H38N3S/c1-3-22(23-12-8-16-27-23)11-7-13-25-14-15-26(19-24,20(2)17-25)18-21-9-5-4-6-10-21/h8,12,16,20-22H,3-7,9-11,13-15,17-18H2,1-2H3/q+1