4-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N

InChI

InChI=1S/C17H25N3O2S/c1-2-5-16-6-8-17(9-7-16)23(21,22)20-14-12-19(13-15-20)11-4-3-10-18/h6-9H,2-5,11-15H2,1H3/p+1