1-[(5-chloranylthiophen-2-yl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazin-1-ium Formula: C18H24ClN4O2S2+ MolecularWeight: 427.99176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O2S2/c19-17-5-3-15(26-17)14-21-9-11-22(12-10-21)18-6-4-16(13-20-18)27(24,25)23-7-1-2-8-23/h3-6,13H,1-2,7-12,14H2/p+1