dimethyl-[2-(3-nitro-4-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]-[3-(4-phenylimidazol-1-yl)propyl]azanium

Systemtic Name: dimethyl-[2-(3-nitro-4-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]-[3-(4-phenylimidazol-1-yl)propyl]azanium Openeye Name: [2-(4-benzyloxy-3-nitro-phenyl)-2-hydroxy-ethyl]-dimethyl-[3-(4-phenylimidazol-1-yl)propyl]ammonium CAS Name: [2-hydroxy-2-(3-nitro-4-phenylmethoxyphenyl)ethyl]-dimethyl-[3-(4-phenyl-1-imidazolyl)propyl]ammonium IUPAC Name: [2-hydroxy-2-(3-nitro-4-phenylmethoxyphenyl)ethyl]-dimethyl-[3-(4-phenylimidazol-1-yl)propyl]azanium Traditional Name: [2-(4-benzoxy-3-nitro-phenyl)-2-hydroxy-ethyl]-dimethyl-[3-(4-phenylimidazol-1-yl)propyl]ammonium Formula: C29H33N4O4+ MolecularWeight: 501.59672

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C=C(N=C1)C2=CC=CC=C2)CC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C[N+](C)(CCCN1C=C(N=C1)C2=CC=CC=C2)CC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C29H33N4O4/c1-33(2,17-9-16-31-19-26(30-22-31)24-12-7-4-8-13-24)20-28(34)25-14-15-29(27(18-25)32(35)36)37-21-23-10-5-3-6-11-23/h3-8,10-15,18-19,22,28,34H,9,16-17,20-21H2,1-2H3/q+1