1,3-benzodioxol-5-ylmethyl-[2-[[(4R)-2,2-dimethyloxan-4-yl]azaniumyl]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(4R)-2,2-dimethyloxan-4-yl]azaniumyl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(4R)-2,2-dimethyltetrahydropyran-4-yl]ammonio]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(4R)-2,2-dimethyl-4-oxanyl]ammonio]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(4R)-2,2-dimethyloxan-4-yl]azaniumyl]ethyl]azanium Traditional Name: [(4R)-2,2-dimethyltetrahydropyran-4-yl]-[2-(piperonylammonio)ethyl]ammonium Formula: C17H28N2O3+2 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH2+]CC[NH2+]CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1(C[C@@H](CCO1)[NH2+]CC[NH2+]CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H26N2O3/c1-17(2)10-14(5-8-22-17)19-7-6-18-11-13-3-4-15-16(9-13)21-12-20-15/h3-4,9,14,18-19H,5-8,10-12H2,1-2H3/p+2/t14-/m1/s1