1,3-benzodioxol-5-ylmethyl-[(1S)-1-[2,5-bis(oxidanyl)phenyl]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-[2,5-bis(oxidanyl)phenyl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dihydroxyphenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dihydroxyphenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dihydroxyphenyl)ethyl]azanium Traditional Name: [(1S)-1-(2,5-dihydroxyphenyl)ethyl]-piperonyl-ammonium Formula: C16H18NO4+ MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-10(13-7-12(18)3-4-14(13)19)17-8-11-2-5-15-16(6-11)21-9-20-15/h2-7,10,17-19H,8-9H2,1H3/p+1/t10-/m0/s1