4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C14H18Cl2N3O2S+ MolecularWeight: 363.28262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H17Cl2N3O2S/c15-13-4-3-12(11-14(13)16)22(20,21)19-9-7-18(8-10-19)6-2-1-5-17/h3-4,11H,1-2,6-10H2/p+1