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

Systemtic Name: 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)butyronitrile Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N

InChI

InChI=1S/C16H23N3O3S/c1-2-22-15-5-7-16(8-6-15)23(20,21)19-13-11-18(12-14-19)10-4-3-9-17/h5-8H,2-4,10-14H2,1H3/p+1