1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylbutyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylbutyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylbutyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylbutyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylbutyl]azanium Traditional Name: [(1S)-1-phenylbutyl]-piperonyl-ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2/c1-2-6-16(15-7-4-3-5-8-15)19-12-14-9-10-17-18(11-14)21-13-20-17/h3-5,7-11,16,19H,2,6,12-13H2,1H3/p+1/t16-/m0/s1