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4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]butanenitrile

4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name:4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]butanenitrile
Openeye Name:4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]butanenitrile
CAS Name:4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]butanenitrile
IUPAC Name:4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]butanenitrile
Traditional Name:4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]butyronitrile
Formula: C16H22N3O4S+
MolecularWeight: 352.42858
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3


Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3


InChI

InChI=1S/C16H21N3O4S/c17-5-1-2-6-18-7-9-19(10-8-18)24(20,21)14-3-4-15-16(13-14)23-12-11-22-15/h3-4,13H,1-2,6-12H2/p+1


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