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

Systemtic Name: (2R)-N-(diphenylmethyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-benzhydryl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(diphenylmethyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-benzhydryl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzhydryl-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O3/c1-19(27-14-16-28(17-15-27)25(30)22-13-8-18-31-22)24(29)26-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-13,18-19,23H,14-17H2,1H3,(H,26,29)/p+1/t19-/m1/s1