1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylphenyl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylphenyl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylphenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylphenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylphenyl)ethyl]azanium Traditional Name: [(1S)-1-(2,5-dimethylphenyl)ethyl]-piperonyl-ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](C)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21NO2/c1-12-4-5-13(2)16(8-12)14(3)19-10-15-6-7-17-18(9-15)21-11-20-17/h4-9,14,19H,10-11H2,1-3H3/p+1/t14-/m0/s1