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

Systemtic Name: 8-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine Openeye Name: 8-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine CAS Name: 8-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-amine Traditional Name: [8-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]-4H-1,3-benzodioxin-6-yl]amine Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C15H19N3O2/c1-10(2)15-17-3-4-18(15)7-11-5-13(16)6-12-8-19-9-20-14(11)12/h3-6,10H,7-9,16H2,1-2H3/p+1