(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (6-azanyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (6-amino-4H-1,3-benzodioxin-8-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (6-amino-4H-1,3-benzodioxin-8-yl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (6-amino-4H-1,3-benzodioxin-8-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (6-amino-4H-1,3-benzodioxin-8-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C16H25N3O2/c1-18-5-3-15(4-6-18)19(2)9-12-7-14(17)8-13-10-20-11-21-16(12)13/h7-8,15H,3-6,9-11,17H2,1-2H3/p+2