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

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]propionamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H25N3O3S/c1-18(26-13-15-27(16-14-26)24(29)21-11-7-17-30-21)23(28)25-20-10-5-6-12-22(20)31-19-8-3-2-4-9-19/h2-12,17-18H,13-16H2,1H3,(H,25,28)/p+1/t18-/m0/s1