N6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine

Systemtic Name: N6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine Openeye Name: N6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine CAS Name: N6-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2,3-dihydro-1,4-benzodioxin-6,7-diamine IUPAC Name: 6-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine Traditional Name: (7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=CC3=C(C=C2N)OCCO3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=CC3=C(C=C2N)OCCO3

InChI

InChI=1S/C15H23N3O2/c1-2-18-5-3-4-11(18)10-17-13-9-15-14(8-12(13)16)19-6-7-20-15/h8-9,11,17H,2-7,10,16H2,1H3/p+1/t11-/m0/s1