[(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-2-methyl-propyl]azanium

Systemtic Name: [(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-2-methyl-propyl]azanium Openeye Name: [(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-2-methyl-propyl]ammonium CAS Name: [(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-2-methylpropyl]ammonium IUPAC Name: [(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-2-methylpropyl]azanium Traditional Name: [(2R)-2-methyl-3-(4-piperonylpiperazin-1-ium-1-yl)propyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH3+])C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C[NH3+])C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H25N3O2/c1-13(9-17)10-18-4-6-19(7-5-18)11-14-2-3-15-16(8-14)21-12-20-15/h2-3,8,13H,4-7,9-12,17H2,1H3/p+2/t13-/m1/s1