bis(azanyl)methylidene-[4-chloranyl-7-(3-cyanophenyl)isoquinolin-1-yl]azanium ethanoate

Systemtic Name: bis(azanyl)methylidene-[4-chloranyl-7-(3-cyanophenyl)isoquinolin-1-yl]azanium ethanoate Openeye Name: [4-chloro-7-(3-cyanophenyl)-1-isoquinolyl]-(diaminomethylene)ammonium acetate CAS Name: [4-chloro-7-(3-cyanophenyl)-1-isoquinolinyl]-(diaminomethylidene)ammonium acetate IUPAC Name: [4-chloro-7-(3-cyanophenyl)isoquinolin-1-yl]-(diaminomethylidene)azanium acetate Traditional Name: [4-chloro-7-(3-cyanophenyl)-1-isoquinolyl]-(diaminomethylene)ammonium acetate Formula: C19H16ClN5O2 MolecularWeight: 381.81564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC(=CC(=C1)C2=CC3=C(C=C2)C(=CN=C3[NH+]=C(N)N)Cl)C#N

Isomeric SMILES

CC(=O)[O-].C1=CC(=CC(=C1)C2=CC3=C(C=C2)C(=CN=C3[NH+]=C(N)N)Cl)C#N

InChI

InChI=1S/C17H12ClN5.C2H4O2/c18-15-9-22-16(23-17(20)21)14-7-12(4-5-13(14)15)11-3-1-2-10(6-11)8-19;1-2(3)4/h1-7,9H,(H4,20,21,22,23);1H3,(H,3,4)