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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-methylpentyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-methylpentyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-methylpentyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-methylpentyl]azanium Traditional Name: [(2S)-2-methylpentyl]-piperonyl-ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C[NH2+]CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC[C@H](C)C[NH2+]CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H21NO2/c1-3-4-11(2)8-15-9-12-5-6-13-14(7-12)17-10-16-13/h5-7,11,15H,3-4,8-10H2,1-2H3/p+1/t11-/m0/s1