3-(4-aminocarbonylphenyl)propyl-dimethyl-[2-oxidanyl-2-(2-phenylmethoxyphenyl)ethyl]azanium

Systemtic Name: 3-(4-aminocarbonylphenyl)propyl-dimethyl-[2-oxidanyl-2-(2-phenylmethoxyphenyl)ethyl]azanium Openeye Name: [2-(2-benzyloxyphenyl)-2-hydroxy-ethyl]-[3-(4-carbamoylphenyl)propyl]-dimethyl-ammonium CAS Name: 3-(4-carbamoylphenyl)propyl-[2-hydroxy-2-(2-phenylmethoxyphenyl)ethyl]-dimethylammonium IUPAC Name: 3-(4-carbamoylphenyl)propyl-[2-hydroxy-2-(2-phenylmethoxyphenyl)ethyl]-dimethylazanium Traditional Name: [2-(2-benzoxyphenyl)-2-hydroxy-ethyl]-[3-(4-carbamoylphenyl)propyl]-dimethyl-ammonium Formula: C27H33N2O3+ MolecularWeight: 433.56252

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCC1=CC=C(C=C1)C(=O)N)CC(C2=CC=CC=C2OCC3=CC=CC=C3)O

Isomeric SMILES

C[N+](C)(CCCC1=CC=C(C=C1)C(=O)N)CC(C2=CC=CC=C2OCC3=CC=CC=C3)O

InChI

InChI=1S/C27H32N2O3/c1-29(2,18-8-11-21-14-16-23(17-15-21)27(28)31)19-25(30)24-12-6-7-13-26(24)32-20-22-9-4-3-5-10-22/h3-7,9-10,12-17,25,30H,8,11,18-20H2,1-2H3,(H-,28,31)/p+1