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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O/c1-2-25-21-6-4-3-5-20(21)17-24-13-11-23(12-14-24)16-19-9-7-18(15-22)8-10-19/h3-10H,2,11-14,16-17H2,1H3/p+2