bis(phenylmethyl)azanium; 2-(4-hydroxyphenyl)-2-pyrrol-1-yl-ethanoate

Systemtic Name: bis(phenylmethyl)azanium; 2-(4-hydroxyphenyl)-2-pyrrol-1-yl-ethanoate Openeye Name: dibenzylammonium; 2-(4-hydroxyphenyl)-2-pyrrol-1-yl-acetate CAS Name: bis(phenylmethyl)ammonium; 2-(4-hydroxyphenyl)-2-(1-pyrrolyl)acetate IUPAC Name: dibenzylazanium; 2-(4-hydroxyphenyl)-2-pyrrol-1-ylacetate Traditional Name: dibenzylammonium; 2-(4-hydroxyphenyl)-2-pyrrol-1-yl-acetate Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2.C1=CN(C=C1)C(C2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2.C1=CN(C=C1)C(C2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C14H15N.C12H11NO3/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;14-10-5-3-9(4-6-10)11(12(15)16)13-7-1-2-8-13/h1-10,15H,11-12H2;1-8,11,14H,(H,15,16)