2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C22H25N3O2S/c23-16-20-7-3-4-8-21(20)17-24-11-13-25(14-12-24)28(26,27)22-10-9-18-5-1-2-6-19(18)15-22/h3-4,7-10,15H,1-2,5-6,11-14,17H2/p+1