(2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C24H25ClN3O4+ MolecularWeight: 454.926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C24H24ClN3O4/c1-31-20-10-9-18(16-19(20)25)26-23(29)22(17-6-3-2-4-7-17)27-11-13-28(14-12-27)24(30)21-8-5-15-32-21/h2-10,15-16,22H,11-14H2,1H3,(H,26,29)/p+1/t22-/m0/s1