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

Systemtic Name: 2-pyridin-2-yl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(2-pyridyl)-4-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(2-pyridinyl)-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-pyridin-2-yl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(2-pyridyl)-4-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C23H27N4O2S2+ MolecularWeight: 455.61608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=N5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=N5

InChI

InChI=1S/C23H26N4O2S2/c28-31(29,21-9-8-18-5-1-2-6-19(18)15-21)27-13-11-26(12-14-27)16-20-17-30-23(25-20)22-7-3-4-10-24-22/h3-4,7-10,15,17H,1-2,5-6,11-14,16H2/p+1