N-(phenylmethyl)-2-[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(5-pyrrolidinosulfonyl-2-furyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CN3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CN3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O4S/c27-21(23-16-19-6-2-1-3-7-19)18-25-14-12-24(13-15-25)17-20-8-9-22(30-20)31(28,29)26-10-4-5-11-26/h1-3,6-9H,4-5,10-18H2,(H,23,27)/p+1