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

Systemtic Name: [(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-(2-diethylaminoethyl)azanium Openeye Name: [(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-(2-diethylaminoethyl)ammonium CAS Name: [(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-(2-diethylaminoethyl)ammonium IUPAC Name: [(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-(2-diethylaminoethyl)azanium Traditional Name: 2-diethylaminoethyl-[(2S)-2-hydroxy-3-piperonyloxy-propyl]ammonium Formula: C17H29N2O4+ MolecularWeight: 325.42316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]CC(COCC1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

CCN(CC)CC[NH2+]C[C@@H](COCC1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C17H28N2O4/c1-3-19(4-2)8-7-18-10-15(20)12-21-11-14-5-6-16-17(9-14)23-13-22-16/h5-6,9,15,18,20H,3-4,7-8,10-13H2,1-2H3/p+1/t15-/m0/s1