methyl 4-(isoquinolin-2-ium-2-ylmethyl)benzoate chloride

Systemtic Name: methyl 4-(isoquinolin-2-ium-2-ylmethyl)benzoate chloride Openeye Name: methyl 4-(isoquinolin-2-ium-2-ylmethyl)benzoate chloride CAS Name: 4-(2-isoquinolin-2-iumylmethyl)benzoic acid methyl ester chloride IUPAC Name: methyl 4-(isoquinolin-2-ium-2-ylmethyl)benzoate chloride Traditional Name: 4-(isoquinolin-2-ium-2-ylmethyl)benzoic acid methyl ester chloride Formula: C18H16ClNO2 MolecularWeight: 313.77814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C18H16NO2.ClH/c1-21-18(20)16-8-6-14(7-9-16)12-19-11-10-15-4-2-3-5-17(15)13-19;/h2-11,13H,12H2,1H3;1H/q+1;/p-1