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

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H20N4O3/c1-14(18(24)21-16-6-3-2-5-15(16)13-20)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,21,24)/p+1/t14-/m1/s1