4-piperazin-4-ium-1-ylsulfonylbenzenecarbonitrile

Systemtic Name: 4-piperazin-4-ium-1-ylsulfonylbenzenecarbonitrile Openeye Name: 4-piperazin-4-ium-1-ylsulfonylbenzonitrile CAS Name: 4-(1-piperazin-4-iumylsulfonyl)benzonitrile IUPAC Name: 4-piperazin-4-ium-1-ylsulfonylbenzonitrile Traditional Name: 4-piperazin-4-ium-1-ylsulfonylbenzonitrile Formula: C11H14N3O2S+ MolecularWeight: 252.31276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C11H13N3O2S/c12-9-10-1-3-11(4-2-10)17(15,16)14-7-5-13-6-8-14/h1-4,13H,5-8H2/p+1