1-(4-nitrophenyl)-2-(phenylmethyl)-5-[4-(phenylmethyl)morpholin-4-ium-4-yl]pentan-1-one

Systemtic Name: 1-(4-nitrophenyl)-2-(phenylmethyl)-5-[4-(phenylmethyl)morpholin-4-ium-4-yl]pentan-1-one Openeye Name: 2-benzyl-5-(4-benzylmorpholin-4-ium-4-yl)-1-(4-nitrophenyl)pentan-1-one CAS Name: 1-(4-nitrophenyl)-2-(phenylmethyl)-5-[4-(phenylmethyl)-4-morpholin-4-iumyl]-1-pentanone IUPAC Name: 2-benzyl-5-(4-benzylmorpholin-4-ium-4-yl)-1-(4-nitrophenyl)pentan-1-one Traditional Name: 2-benzyl-5-(4-benzylmorpholin-4-ium-4-yl)-1-(4-nitrophenyl)pentan-1-one Formula: C29H33N2O4+ MolecularWeight: 473.58332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CCCC(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1COCC[N+]1(CCCC(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C29H33N2O4/c32-29(26-13-15-28(16-14-26)30(33)34)27(22-24-8-3-1-4-9-24)12-7-17-31(18-20-35-21-19-31)23-25-10-5-2-6-11-25/h1-6,8-11,13-16,27H,7,12,17-23H2/q+1