2-[4-[(3-cyanophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3-cyanophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-cyanophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-cyanophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-cyanophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-cyanobenzyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H19N4O2S+ MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N4O2S/c20-13-16-4-3-5-17(12-16)15-22-8-10-23(11-9-22)26(24,25)19-7-2-1-6-18(19)14-21/h1-7,12H,8-11,15H2/p+1