2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H29N5O4S/c1-4-9-27-19-8-7-17(32(29,30)24(2)3)15-18(19)23-21(27)16-25-10-12-26(13-11-25)22(28)20-6-5-14-31-20/h5-8,14-15H,4,9-13,16H2,1-3H3/p+1