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

Systemtic Name: 2-methyl-1-(2-phenoxyethyl)-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile Openeye Name: 2-methyl-1-(2-phenoxyethyl)-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-carbonitrile CAS Name: 2-methyl-1-(2-phenoxyethyl)-4-(4-thiophen-2-ylhexyl)-1-piperazin-1-iumcarbonitrile IUPAC Name: 2-methyl-1-(2-phenoxyethyl)-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile Traditional Name: 2-methyl-1-(2-phenoxyethyl)-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-carbonitrile Formula: C24H34N3OS+ MolecularWeight: 412.61126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1CC[N+](C(C1)C)(CCOC2=CC=CC=C2)C#N)C3=CC=CS3

Isomeric SMILES

CCC(CCCN1CC[N+](C(C1)C)(CCOC2=CC=CC=C2)C#N)C3=CC=CS3

InChI

InChI=1S/C24H34N3OS/c1-3-22(24-12-8-18-29-24)9-7-13-26-14-15-27(20-25,21(2)19-26)16-17-28-23-10-5-4-6-11-23/h4-6,8,10-12,18,21-22H,3,7,9,13-17,19H2,1-2H3/q+1