(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyano-2-thienyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyano-2-thiophenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyano-2-thienyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C17H19N4O3S+ MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H18N4O3S/c1-12(15(22)19-16-13(11-18)4-10-25-16)20-5-7-21(8-6-20)17(23)14-3-2-9-24-14/h2-4,9-10,12H,5-8H2,1H3,(H,19,22)/p+1/t12-/m1/s1