(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: (2S)-N-(4-benzyloxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2S)-N-(4-benzoxyphenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O4/c1-19(27-13-15-28(16-14-27)25(30)23-8-5-17-31-23)24(29)26-21-9-11-22(12-10-21)32-18-20-6-3-2-4-7-20/h2-12,17,19H,13-16,18H2,1H3,(H,26,29)/p+1/t19-/m0/s1