1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methanol

Systemtic Name: 1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methanol Openeye Name: 1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methanol CAS Name: 1,3-benzodioxol-5-yl(1-isoquinolin-2-iumyl)methanol IUPAC Name: 1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methanol Traditional Name: 1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methanol Formula: C17H14NO3+ MolecularWeight: 280.29796

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=[NH+]C=CC4=CC=CC=C43)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=[NH+]C=CC4=CC=CC=C43)O

InChI

InChI=1S/C17H13NO3/c19-17(12-5-6-14-15(9-12)21-10-20-14)16-13-4-2-1-3-11(13)7-8-18-16/h1-9,17,19H,10H2/p+1