4-(isoquinolin-2-ium-2-ylmethyl)-3,5-dimethyl-1,2-oxazole chloride

Systemtic Name: 4-(isoquinolin-2-ium-2-ylmethyl)-3,5-dimethyl-1,2-oxazole chloride Openeye Name: 4-(isoquinolin-2-ium-2-ylmethyl)-3,5-dimethyl-isoxazole chloride CAS Name: 4-(2-isoquinolin-2-iumylmethyl)-3,5-dimethylisoxazole chloride IUPAC Name: 4-(isoquinolin-2-ium-2-ylmethyl)-3,5-dimethyl-1,2-oxazole chloride Traditional Name: 4-(isoquinolin-2-ium-2-ylmethyl)-3,5-dimethyl-isoxazole chloride Formula: C15H15ClN2O MolecularWeight: 274.7454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

CC1=C(C(=NO1)C)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C15H15N2O.ClH/c1-11-15(12(2)18-16-11)10-17-8-7-13-5-3-4-6-14(13)9-17;/h3-9H,10H2,1-2H3;1H/q+1;/p-1