1-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-1-methyl-imidazol-1-ium-4-sulfonamide

Systemtic Name: 1-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-1-methyl-imidazol-1-ium-4-sulfonamide Openeye Name: 1-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-1-methyl-imidazol-1-ium-4-sulfonamide CAS Name: 1-[1-[bis(4-chlorophenyl)methyl]-3-azetidinyl]-1-methyl-4-imidazol-1-iumsulfonamide IUPAC Name: 1-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-1-methylimidazol-1-ium-4-sulfonamide Traditional Name: 1-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-1-methyl-imidazol-1-ium-4-sulfonamide Formula: C20H21Cl2N4O2S+ MolecularWeight: 452.37734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(N=C1)S(=O)(=O)N)C2CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[N+]1(C=C(N=C1)S(=O)(=O)N)C2CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21Cl2N4O2S/c1-26(12-19(24-13-26)29(23,27)28)18-10-25(11-18)20(14-2-6-16(21)7-3-14)15-4-8-17(22)9-5-15/h2-9,12-13,18,20H,10-11H2,1H3,(H2,23,27,28)/q+1