dimethyl-(2-phenoxyethyl)-(phenylmethyl)azanium; 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: dimethyl-(2-phenoxyethyl)-(phenylmethyl)azanium; 3-oxidanylnaphthalene-2-carboxylate Openeye Name: benzyl-dimethyl-(2-phenoxyethyl)ammonium; 3-hydroxynaphthalene-2-carboxylate CAS Name: dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium; 3-hydroxy-2-naphthalenecarboxylate IUPAC Name: benzyl-dimethyl-(2-phenoxyethyl)azanium; 3-hydroxynaphthalene-2-carboxylate Traditional Name: benzyl-dimethyl-(2-phenoxyethyl)ammonium; 3-hydroxy-2-naphthoate Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O

Isomeric SMILES

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O

InChI

InChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1