5-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-furan-2-sulfonamide

Systemtic Name: 5-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-furan-2-sulfonamide Openeye Name: 5-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-furan-2-sulfonamide CAS Name: 5-[[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-N,N-dimethyl-2-furansulfonamide IUPAC Name: 5-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide Traditional Name: 5-[[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-furan-2-sulfonamide Formula: C18H25ClN3O3S+ MolecularWeight: 398.9274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H24ClN3O3S/c1-20(2)26(23,24)18-7-6-17(25-18)14-22-10-8-21(9-11-22)13-15-4-3-5-16(19)12-15/h3-7,12H,8-11,13-14H2,1-2H3/p+1