(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: (2S)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H25N3O2S/c1-15(19(23)20-17-7-3-4-8-18(17)25-2)22-11-9-21(10-12-22)14-16-6-5-13-24-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1