2-[[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]ammonio]ethyl-dimethyl-ammonium Formula: C14H23N3O3+2 MolecularWeight: 281.35072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH2+]CC[NH+](C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH2+]CC[NH+](C)C

InChI

InChI=1S/C14H21N3O3/c1-10(15-6-7-17(2)3)14(18)16-11-4-5-12-13(8-11)20-9-19-12/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18)/p+2/t10-/m1/s1