methyl 1-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-2-butyl-5-chloranyl-3-sulfonyl-2H-imidazol-3-ium-4-carboxylate

Systemtic Name: methyl 1-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-2-butyl-5-chloranyl-3-sulfonyl-2H-imidazol-3-ium-4-carboxylate Openeye Name: methyl 1-(3-amino-2-phenyl-benzofuran-5-yl)-2-butyl-5-chloro-3-sulfonyl-2H-imidazol-3-ium-4-carboxylate CAS Name: 1-(3-amino-2-phenyl-5-benzofuranyl)-2-butyl-5-chloro-3-sulfonyl-2H-imidazol-3-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-amino-2-phenyl-1-benzofuran-5-yl)-2-butyl-5-chloro-3-sulfonyl-2H-imidazol-3-ium-4-carboxylate Traditional Name: 1-(3-amino-2-phenyl-benzofuran-5-yl)-2-butyl-5-chloro-3-sulfonyl-4-imidazolin-3-ium-4-carboxylic acid methyl ester Formula: C23H23ClN3O5S+ MolecularWeight: 488.96382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C(=C([N+]1=S(=O)=O)C(=O)OC)Cl)C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4

Isomeric SMILES

CCCCC1N(C(=C([N+]1=S(=O)=O)C(=O)OC)Cl)C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4

InChI

InChI=1S/C23H23ClN3O5S/c1-3-4-10-18-26(22(24)20(23(28)31-2)27(18)33(29)30)15-11-12-17-16(13-15)19(25)21(32-17)14-8-6-5-7-9-14/h5-9,11-13,18H,3-4,10,25H2,1-2H3/q+1