1,3-benzodioxol-5-ylmethyl-[(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonyl-phenoxy)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]azanium Traditional Name: [(2S)-3-(4-carbomethoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]-piperonyl-ammonium Formula: C20H24NO7+ MolecularWeight: 390.40706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH2+]CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](C[NH2+]CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C20H23NO7/c1-24-18-8-14(20(23)25-2)4-6-16(18)26-11-15(22)10-21-9-13-3-5-17-19(7-13)28-12-27-17/h3-8,15,21-22H,9-12H2,1-2H3/p+1/t15-/m0/s1