4-[[4-(4-iodophenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-iodophenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-iodobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-iodophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-iodobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-iodobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H19IN3O+ MolecularWeight: 432.27813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18IN3O/c20-18-7-5-17(6-8-18)19(24)23-11-9-22(10-12-23)14-16-3-1-15(13-21)2-4-16/h1-8H,9-12,14H2/p+1