N-(1,3-benzodioxol-5-yl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride Openeye Name: N-(1,3-benzodioxol-5-yl)-2-isoquinolin-2-ium-2-yl-acetamide chloride CAS Name: N-(1,3-benzodioxol-5-yl)-2-(2-isoquinolin-2-iumyl)acetamide chloride IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-isoquinolin-2-ium-2-ylacetamide chloride Traditional Name: N-(1,3-benzodioxol-5-yl)-2-isoquinolin-2-ium-2-yl-acetamide chloride Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C18H14N2O3.ClH/c21-18(19-15-5-6-16-17(9-15)23-12-22-16)11-20-8-7-13-3-1-2-4-14(13)10-20;/h1-10H,11-12H2;1H