8-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine Openeye Name: 8-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine CAS Name: 8-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine Traditional Name: [8-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-yl]amine Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

CC1=[N+](C=CN1)CC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C13H15N3O2/c1-9-15-2-3-16(9)6-10-4-12(14)5-11-7-17-8-18-13(10)11/h2-5H,6-8,14H2,1H3/p+1