4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O3/c23-15-17-1-3-18(4-2-17)16-24-7-9-25(10-8-24)22(26)14-19-5-6-20-21(13-19)28-12-11-27-20/h1-6,13H,7-12,14,16H2/p+1