1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methylphenyl)propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methylphenyl)propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(p-tolyl)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methylphenyl)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methylphenyl)propyl]azanium Traditional Name: piperonyl-[(1S)-1-(p-tolyl)propyl]ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2/c1-3-16(15-7-4-13(2)5-8-15)19-11-14-6-9-17-18(10-14)21-12-20-17/h4-10,16,19H,3,11-12H2,1-2H3/p+1/t16-/m0/s1