4-(diphenylmethyl)oxy-1-methyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium

Systemtic Name: 4-(diphenylmethyl)oxy-1-methyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium Openeye Name: 4-benzhydryloxy-1-methyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium CAS Name: 4-(diphenylmethyl)oxy-1-methyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium IUPAC Name: 4-benzhydryloxy-1-methyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium Traditional Name: 4-benzhydryloxy-1-methyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium Formula: C28H33N2O4+ MolecularWeight: 461.57262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C28H33N2O4/c1-30(19-10-22-33-27-16-9-8-15-26(27)29(31)32)20-17-25(18-21-30)34-28(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-16,25,28H,10,17-22H2,1H3/q+1