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

Systemtic Name: (4-cyanophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Openeye Name: (4-cyanophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium CAS Name: (4-cyanophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium IUPAC Name: (4-cyanophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Traditional Name: (4-cyanobenzyl)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium Formula: C17H17N2O2+ MolecularWeight: 281.32908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16N2O2/c18-9-13-5-7-14(8-6-13)10-19-11-15-12-20-16-3-1-2-4-17(16)21-15/h1-8,15,19H,10-12H2/p+1/t15-/m0/s1