N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-6-pyridin-1-ium-1-yl-hexanamide

Systemtic Name: N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-6-pyridin-1-ium-1-yl-hexanamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-6-pyridin-1-ium-1-yl-hexanamide CAS Name: N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-6-(1-pyridin-1-iumyl)hexanamide IUPAC Name: N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-6-pyridin-1-ium-1-ylhexanamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-6-pyridin-1-ium-1-yl-hexanamide Formula: C20H26N3O5+ MolecularWeight: 388.43754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCCC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCCC(=O)N[C@H](CO)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H25N3O5/c24-15-18(20(26)16-8-10-17(11-9-16)23(27)28)21-19(25)7-3-1-4-12-22-13-5-2-6-14-22/h2,5-6,8-11,13-14,18,20,24,26H,1,3-4,7,12,15H2/p+1/t18-,20-/m1/s1