3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile CAS Name: 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propionitrile Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C16H21N3O2S/c17-7-2-8-18-9-11-19(12-10-18)22(20,21)16-6-5-14-3-1-4-15(14)13-16/h5-6,13H,1-4,8-12H2/p+1