8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxin-6-amine Openeye Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxin-6-amine CAS Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxin-6-amine Traditional Name: [8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxin-6-yl]amine Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C4C(=CC(=C3)N)COCO4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C4C(=CC(=C3)N)COCO4

InChI

InChI=1S/C18H20N2O2/c19-17-7-15(18-16(8-17)11-21-12-22-18)10-20-6-5-13-3-1-2-4-14(13)9-20/h1-4,7-8H,5-6,9-12,19H2/p+1