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

Systemtic Name: 3-[[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2S)-2-hydroxy-3-piperonyloxy-propyl]amino]propyl-dimethyl-ammonium Formula: C16H27N2O4+ MolecularWeight: 311.39658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNCC(COCC1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

C[NH+](C)CCCNC[C@@H](COCC1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C16H26N2O4/c1-18(2)7-3-6-17-9-14(19)11-20-10-13-4-5-15-16(8-13)22-12-21-15/h4-5,8,14,17,19H,3,6-7,9-12H2,1-2H3/p+1/t14-/m0/s1