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

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)butyronitrile Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2S/c18-8-1-2-9-19-10-12-20(13-11-19)23(21,22)17-7-6-15-4-3-5-16(15)14-17/h6-7,14H,1-5,9-13H2/p+1