1,3-benzodioxol-5-ylmethyl-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+](C)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+](C)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H20N2O3/c1-4-15-14(17)10(2)16(3)8-11-5-6-12-13(7-11)19-9-18-12/h5-7,10H,4,8-9H2,1-3H3,(H,15,17)/p+1/t10-/m0/s1