4-bromanyl-3-oxidanyl-naphthalene-2-carboxylic acid; dimethyl-(2-phenoxyethyl)-(phenylmethyl)azanium

Systemtic Name: 4-bromanyl-3-oxidanyl-naphthalene-2-carboxylic acid; dimethyl-(2-phenoxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-(2-phenoxyethyl)ammonium; 4-bromo-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-bromo-3-hydroxy-2-naphthalenecarboxylic acid; dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-(2-phenoxyethyl)azanium; 4-bromo-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: benzyl-dimethyl-(2-phenoxyethyl)ammonium; 4-bromo-3-hydroxy-2-naphthoic acid Formula: C28H29BrNO4+ MolecularWeight: 523.43816

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)O

Isomeric SMILES

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)O

InChI

InChI=1S/C17H22NO.C11H7BrO3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h3-12H,13-15H2,1-2H3;1-5,13H,(H,14,15)/q+1;