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

Systemtic Name: 3-(4-aminocarbonylphenyl)propyl-dimethyl-[2-oxidanyl-2-(4-phenylmethoxyphenyl)ethyl]azanium Openeye Name: [2-(4-benzyloxyphenyl)-2-hydroxy-ethyl]-[3-(4-carbamoylphenyl)propyl]-dimethyl-ammonium CAS Name: 3-(4-carbamoylphenyl)propyl-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-dimethylammonium IUPAC Name: 3-(4-carbamoylphenyl)propyl-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-dimethylazanium Traditional Name: [2-(4-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=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

C[N+](C)(CCCC1=CC=C(C=C1)C(=O)N)CC(C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

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