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

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-30-20-10-5-9-19(17-20)25-23(28)22(18-7-3-2-4-8-18)26-12-14-27(15-13-26)24(29)21-11-6-16-31-21/h2-11,16-17,22H,12-15H2,1H3,(H,25,28)/p+1/t22-/m0/s1