3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC(=C4)C#N

InChI

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