1,3-benzodioxol-5-ylmethyl-[(2S)-3-(2-methoxyphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(2-methoxyphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-piperonyl-ammonium Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(C[NH2+]CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC1=CC=CC=C1OC[C@H](C[NH2+]CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H21NO5/c1-21-15-4-2-3-5-16(15)22-11-14(20)10-19-9-13-6-7-17-18(8-13)24-12-23-17/h2-8,14,19-20H,9-12H2,1H3/p+1/t14-/m0/s1