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

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N)OC

InChI

InChI=1S/C16H23N3O4S/c1-22-15-6-5-14(13-16(15)23-2)24(20,21)19-11-9-18(10-12-19)8-4-3-7-17/h5-6,13H,3-4,8-12H2,1-2H3/p+1