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

Systemtic Name: 8-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-amine Openeye Name: 8-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-amine CAS Name: 8-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-amine Traditional Name: [8-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-yl]amine Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C15H23N3O2/c1-17-3-2-4-18(6-5-17)9-12-7-14(16)8-13-10-19-11-20-15(12)13/h7-8H,2-6,9-11,16H2,1H3/p+1