bis[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-(2-diethylaminoethyl)azanium

Systemtic Name: bis[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-(2-diethylaminoethyl)azanium Openeye Name: bis[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-(2-diethylaminoethyl)ammonium CAS Name: bis[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-(2-diethylaminoethyl)ammonium IUPAC Name: bis[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-(2-diethylaminoethyl)azanium Traditional Name: 2-diethylaminoethyl-bis[(2S)-2-hydroxy-3-piperonyloxy-propyl]ammonium Formula: C28H41N2O8+ MolecularWeight: 533.63374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH+](CC(COCC1=CC2=C(C=C1)OCO2)O)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCN(CC)CC[NH+](C[C@@H](COCC1=CC2=C(C=C1)OCO2)O)C[C@@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C28H40N2O8/c1-3-29(4-2)9-10-30(13-23(31)17-33-15-21-5-7-25-27(11-21)37-19-35-25)14-24(32)18-34-16-22-6-8-26-28(12-22)38-20-36-26/h5-8,11-12,23-24,31-32H,3-4,9-10,13-20H2,1-2H3/p+1/t23-,24-/m0/s1