N-[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]cyclopropanecarboxamide Formula: C20H23BrN3O2S+ MolecularWeight: 449.38452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C20H22BrN3O2S/c21-18-8-7-17(27-18)13-23-9-11-24(12-10-23)20(26)15-3-5-16(6-4-15)22-19(25)14-1-2-14/h3-8,14H,1-2,9-13H2,(H,22,25)/p+1