[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-(2-pyrrolidinopyridin-1-ium-3-yl)methanone Formula: C18H22BrN4O3S2+ MolecularWeight: 486.42628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C18H21BrN4O3S2/c19-15-5-6-16(27-15)28(25,26)23-12-10-22(11-13-23)18(24)14-4-3-7-20-17(14)21-8-1-2-9-21/h3-7H,1-2,8-13H2/p+1