[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C20H25BrN3O3S2+ MolecularWeight: 499.4648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C20H24BrN3O3S2/c21-19-8-5-17(28-19)15-22-11-13-23(14-12-22)20(25)16-3-6-18(7-4-16)29(26,27)24-9-1-2-10-24/h3-8H,1-2,9-15H2/p+1