[4-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(5-bromo-2-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(5-bromo-2-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(5-bromo-2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(5-bromo-2-hydroxy-benzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C16H18BrN2O2S+ MolecularWeight: 382.29532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H17BrN2O2S/c17-13-3-4-14(20)12(10-13)11-18-5-7-19(8-6-18)16(21)15-2-1-9-22-15/h1-4,9-10,20H,5-8,11H2/p+1