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

Systemtic Name: 3-cyanopropyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium Openeye Name: 3-cyanopropyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium CAS Name: 3-cyanopropyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylammonium IUPAC Name: 3-cyanopropyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylazanium Traditional Name: 3-cyanopropyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC#N)CC1COC2=CC=CC=C2O1

Isomeric SMILES

C[NH+](CCCC#N)C[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H18N2O2/c1-16(9-5-4-8-15)10-12-11-17-13-6-2-3-7-14(13)18-12/h2-3,6-7,12H,4-5,9-11H2,1H3/p+1/t12-/m0/s1