2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C21H25N3O2S/c1-17(2)18-7-9-21(10-8-18)27(25,26)24-13-11-23(12-14-24)16-20-6-4-3-5-19(20)15-22/h3-10,17H,11-14,16H2,1-2H3/p+1