1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C18H26FN6O3S+ MolecularWeight: 425.500843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H25FN6O3S/c1-14(2)20-18(26)16-13-24(22-21-16)10-7-23-8-11-25(12-9-23)29(27,28)17-6-4-3-5-15(17)19/h3-6,13-14H,7-12H2,1-2H3,(H,20,26)/p+1