2-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium Formula: C21H35N3O3+2 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H33N3O3/c1-23(2)12-9-22-21(25)6-4-17-7-10-24(11-8-17)16-18-3-5-19-20(15-18)27-14-13-26-19/h3,5,15,17H,4,6-14,16H2,1-2H3,(H,22,25)/p+2