3-piperazin-4-ium-1-ylsulfonylbenzenecarbonitrile

Systemtic Name: 3-piperazin-4-ium-1-ylsulfonylbenzenecarbonitrile Openeye Name: 3-piperazin-4-ium-1-ylsulfonylbenzonitrile CAS Name: 3-(1-piperazin-4-iumylsulfonyl)benzonitrile IUPAC Name: 3-piperazin-4-ium-1-ylsulfonylbenzonitrile Traditional Name: 3-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=CC(=C2)C#N

Isomeric SMILES

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

InChI

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