[1-(4-chlorophenyl)carbonylisoquinolin-2-ium-2-yl]cyanamide

Systemtic Name: [1-(4-chlorophenyl)carbonylisoquinolin-2-ium-2-yl]cyanamide Openeye Name: [1-(4-chlorobenzoyl)isoquinolin-2-ium-2-yl]cyanamide CAS Name: [1-[(4-chlorophenyl)-oxomethyl]-2-isoquinolin-2-iumyl]cyanamide IUPAC Name: [1-(4-chlorobenzoyl)isoquinolin-2-ium-2-yl]cyanamide Traditional Name: [1-(4-chlorobenzoyl)isoquinolin-2-ium-2-yl]cyanamide Formula: C17H11ClN3O+ MolecularWeight: 308.74174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[N+](=C2C(=O)C3=CC=C(C=C3)Cl)NC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C[N+](=C2C(=O)C3=CC=C(C=C3)Cl)NC#N

InChI

InChI=1S/C17H10ClN3O/c18-14-7-5-13(6-8-14)17(22)16-15-4-2-1-3-12(15)9-10-21(16)20-11-19/h1-10H/p+1