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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-hydroxyphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-hydroxyphenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4-hydroxyphenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-hydroxyphenyl)methyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: (4-hydroxybenzyl)-[(2S)-2-hydroxypropyl]-piperonyl-ammonium Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-13(20)9-19(10-14-2-5-16(21)6-3-14)11-15-4-7-17-18(8-15)23-12-22-17/h2-8,13,20-21H,9-12H2,1H3/p+1/t13-/m0/s1