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

Systemtic Name: (2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2R)-N-(benzylcarbamoyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2R)-N-(benzylcarbamoyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(benzylcarbamoyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H24N4O4/c1-15(18(25)22-20(27)21-14-16-6-3-2-4-7-16)23-9-11-24(12-10-23)19(26)17-8-5-13-28-17/h2-8,13,15H,9-12,14H2,1H3,(H2,21,22,25,27)/p+1/t15-/m1/s1