1-[3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propyl]-1-methyl-imidazol-1-ium-4-sulfonamide

Systemtic Name: 1-[3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propyl]-1-methyl-imidazol-1-ium-4-sulfonamide Openeye Name: 1-[3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propyl]-1-methyl-imidazol-1-ium-4-sulfonamide CAS Name: 1-[3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propyl]-1-methyl-4-imidazol-1-iumsulfonamide IUPAC Name: 1-[3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propyl]-1-methylimidazol-1-ium-4-sulfonamide Traditional Name: 1-[3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propyl]-1-methyl-imidazol-1-ium-4-sulfonamide Formula: C23H29N6O2S+ MolecularWeight: 453.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=NC=CN=C3N2)CCC[N+]4(C=C(N=C4)S(=O)(=O)N)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=NC=CN=C3N2)CCC[N+]4(C=C(N=C4)S(=O)(=O)N)C

InChI

InChI=1S/C23H29N6O2S/c1-23(2,3)17-9-7-16(8-10-17)20-18(21-22(28-20)26-12-11-25-21)6-5-13-29(4)14-19(27-15-29)32(24,30)31/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H2,24,30,31)/q+1