(1-cyanoindolizin-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethyl-azanium

Systemtic Name: (1-cyanoindolizin-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethyl-azanium Openeye Name: (1-cyanoindolizin-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethyl-ammonium CAS Name: (1-cyano-2-indolizinyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethylammonium IUPAC Name: (1-cyanoindolizin-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethylazanium Traditional Name: (1-cyanoindolizin-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethyl-ammonium Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1COC2=CC=CC=C2O1)CC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CC[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H21N3O2/c1-2-23(14-17-15-25-20-8-3-4-9-21(20)26-17)12-16-13-24-10-6-5-7-19(24)18(16)11-22/h3-10,13,17H,2,12,14-15H2,1H3/p+1/t17-/m0/s1