N'-(4-tert-butylphenyl)sulfonyl-1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carbohydrazide

Systemtic Name: N'-(4-tert-butylphenyl)sulfonyl-1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: N'-(4-tert-butylphenyl)sulfonyl-1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: N'-(4-tert-butylphenyl)sulfonyl-1-[(3-fluorophenyl)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: N'-(4-tert-butylphenyl)sulfonyl-1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: N'-(4-tert-butylphenyl)sulfonyl-1-(3-fluorobenzyl)piperidin-1-ium-4-carbohydrazide Formula: C23H31FN3O3S+ MolecularWeight: 448.573943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C23H30FN3O3S/c1-23(2,3)19-7-9-21(10-8-19)31(29,30)26-25-22(28)18-11-13-27(14-12-18)16-17-5-4-6-20(24)15-17/h4-10,15,18,26H,11-14,16H2,1-3H3,(H,25,28)/p+1