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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H23N3O2S/c22-15-17-3-1-4-18(13-17)16-23-9-11-24(12-10-23)27(25,26)21-8-7-19-5-2-6-20(19)14-21/h1,3-4,7-8,13-14H,2,5-6,9-12,16H2/p+1