1-methylisoquinolin-2-ium; 2,3,4,5,6-pentakis(chloranyl)phenolate

Systemtic Name: 1-methylisoquinolin-2-ium; 2,3,4,5,6-pentakis(chloranyl)phenolate Openeye Name: 1-methylisoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate CAS Name: 1-methylisoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate IUPAC Name: 1-methylisoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate Traditional Name: 1-methylisoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate Formula: C16H10Cl5NO MolecularWeight: 409.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC2=CC=CC=C12.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

Isomeric SMILES

CC1=[NH+]C=CC2=CC=CC=C12.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

InChI

InChI=1S/C10H9N.C6HCl5O/c1-8-10-5-3-2-4-9(10)6-7-11-8;7-1-2(8)4(10)6(12)5(11)3(1)9/h2-7H,1H3;12H