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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-piperonyl-acetamide Formula: C19H17N2O3+ MolecularWeight: 321.34988

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H16N2O3/c22-19(12-21-8-7-15-3-1-2-4-16(15)11-21)20-10-14-5-6-17-18(9-14)24-13-23-17/h1-9,11H,10,12-13H2/p+1