[1-(3-methoxycarbonyl-5-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]-dimethyl-phenethyl-azanium

Systemtic Name: [1-(3-methoxycarbonyl-5-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]-dimethyl-phenethyl-azanium Openeye Name: [1-(3-benzyloxy-5-methoxycarbonyl-phenyl)-2-hydroxy-ethyl]-dimethyl-phenethyl-ammonium CAS Name: [2-hydroxy-1-(3-methoxycarbonyl-5-phenylmethoxyphenyl)ethyl]-dimethyl-phenethylammonium IUPAC Name: [2-hydroxy-1-(3-methoxycarbonyl-5-phenylmethoxyphenyl)ethyl]-dimethyl-phenethylazanium Traditional Name: [1-(3-benzoxy-5-carbomethoxy-phenyl)-2-hydroxy-ethyl]-dimethyl-phenethyl-ammonium Formula: C27H32NO4+ MolecularWeight: 434.54728

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=CC=C1)C(CO)C2=CC(=CC(=C2)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

C[N+](C)(CCC1=CC=CC=C1)C(CO)C2=CC(=CC(=C2)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32NO4/c1-28(2,15-14-21-10-6-4-7-11-21)26(19-29)23-16-24(27(30)31-3)18-25(17-23)32-20-22-12-8-5-9-13-22/h4-13,16-18,26,29H,14-15,19-20H2,1-3H3/q+1