2-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(2-thenyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C17H21N3S+2 MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2C#N)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2C#N)CC3=CC=CS3

InChI

InChI=1S/C17H19N3S/c18-12-15-4-1-2-5-16(15)13-19-7-9-20(10-8-19)14-17-6-3-11-21-17/h1-6,11H,7-10,13-14H2/p+2