1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-cyanophenyl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-cyanophenyl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-cyanophenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-cyanophenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-cyanophenyl)ethyl]azanium Traditional Name: [(1S)-1-(4-cyanophenyl)ethyl]-piperonyl-ammonium Formula: C17H17N2O2+ MolecularWeight: 281.32908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C#N)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N2O2/c1-12(15-5-2-13(9-18)3-6-15)19-10-14-4-7-16-17(8-14)21-11-20-16/h2-8,12,19H,10-11H2,1H3/p+1/t12-/m0/s1