methyl 3-[[5-(4-bromophenyl)furan-2-yl]carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[[5-(4-bromophenyl)furan-2-yl]carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[[5-(4-bromophenyl)-2-furoyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C24H25BrN3O4+ MolecularWeight: 499.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrN3O4/c1-27-11-13-28(14-12-27)20-8-5-17(24(30)31-2)15-19(20)26-23(29)22-10-9-21(32-22)16-3-6-18(25)7-4-16/h3-10,15H,11-14H2,1-2H3,(H,26,29)/p+1