N-[(1R,2R)-1-(4-nitrophenyl)-1-oxidanyl-propan-2-yl]-16-pyridin-1-ium-1-yl-hexadecanamide

Systemtic Name: N-[(1R,2R)-1-(4-nitrophenyl)-1-oxidanyl-propan-2-yl]-16-pyridin-1-ium-1-yl-hexadecanamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-methyl-2-(4-nitrophenyl)ethyl]-16-pyridin-1-ium-1-yl-hexadecanamide CAS Name: N-[(1R,2R)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-16-(1-pyridin-1-iumyl)hexadecanamide IUPAC Name: N-[(1R,2R)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-16-pyridin-1-ium-1-ylhexadecanamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-methyl-2-(4-nitrophenyl)ethyl]-16-pyridin-1-ium-1-yl-palmitamide Formula: C30H46N3O4+ MolecularWeight: 512.70394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)CCCCCCCCCCCCCCC[N+]2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)CCCCCCCCCCCCCCC[N+]2=CC=CC=C2

InChI

InChI=1S/C30H45N3O4/c1-26(30(35)27-19-21-28(22-20-27)33(36)37)31-29(34)18-14-11-9-7-5-3-2-4-6-8-10-12-15-23-32-24-16-13-17-25-32/h13,16-17,19-22,24-26,30,35H,2-12,14-15,18,23H2,1H3/p+1/t26-,30+/m1/s1