(5-chloranyl-3-ethanoyl-2-oxidanyl-phenyl)methyl-dimethyl-(2-phenoxyethyl)azanium; 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: (5-chloranyl-3-ethanoyl-2-oxidanyl-phenyl)methyl-dimethyl-(2-phenoxyethyl)azanium; 3-oxidanylnaphthalene-2-carboxylate Openeye Name: (3-acetyl-5-chloro-2-hydroxy-phenyl)methyl-dimethyl-(2-phenoxyethyl)ammonium; 3-hydroxynaphthalene-2-carboxylate CAS Name: (3-acetyl-5-chloro-2-hydroxyphenyl)methyl-dimethyl-(2-phenoxyethyl)ammonium; 3-hydroxy-2-naphthalenecarboxylate IUPAC Name: (3-acetyl-5-chloro-2-hydroxyphenyl)methyl-dimethyl-(2-phenoxyethyl)azanium; 3-hydroxynaphthalene-2-carboxylate Traditional Name: (3-acetyl-5-chloro-2-hydroxy-benzyl)-dimethyl-(2-phenoxyethyl)ammonium; 3-hydroxy-2-naphthoate Formula: C30H30ClNO6 MolecularWeight: 536.0153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1O)C[N+](C)(C)CCOC2=CC=CC=C2)Cl.C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1O)C[N+](C)(C)CCOC2=CC=CC=C2)Cl.C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O

InChI

InChI=1S/C19H22ClNO3.C11H8O3/c1-14(22)18-12-16(20)11-15(19(18)23)13-21(2,3)9-10-24-17-7-5-4-6-8-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h4-8,11-12H,9-10,13H2,1-3H3;1-6,12H,(H,13,14)