1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-(p-tolylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-[(4-methylphenyl)methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-(4-methylbenzyl)-piperonyl-ammonium Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3/c1-14-3-5-16(6-4-14)11-20(10-15(2)21)12-17-7-8-18-19(9-17)23-13-22-18/h3-9,15,21H,10-13H2,1-2H3/p+1/t15-/m0/s1