4-[[4-[2-(3-methylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-methylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-methylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-methylphenoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-methylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-methylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C21H27N3O+2 MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O/c1-18-3-2-4-21(15-18)25-14-13-23-9-11-24(12-10-23)17-20-7-5-19(16-22)6-8-20/h2-8,15H,9-14,17H2,1H3/p+2