1,3-benzodioxol-5-yl-(2-methylisoquinolin-2-ium-4-yl)methanol

Systemtic Name: 1,3-benzodioxol-5-yl-(2-methylisoquinolin-2-ium-4-yl)methanol Openeye Name: 1,3-benzodioxol-5-yl-(2-methylisoquinolin-2-ium-4-yl)methanol CAS Name: 1,3-benzodioxol-5-yl-(2-methyl-4-isoquinolin-2-iumyl)methanol IUPAC Name: 1,3-benzodioxol-5-yl-(2-methylisoquinolin-2-ium-4-yl)methanol Traditional Name: 1,3-benzodioxol-5-yl-(2-methylisoquinolin-2-ium-4-yl)methanol Formula: C18H16NO3+ MolecularWeight: 294.32454

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C(=C1)C(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C(=C1)C(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C18H16NO3/c1-19-9-13-4-2-3-5-14(13)15(10-19)18(20)12-6-7-16-17(8-12)22-11-21-16/h2-10,18,20H,11H2,1H3/q+1