[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-(3-propan-2-yloxypropyl)azanium Openeye Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-(3-isopropoxypropyl)ammonium CAS Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-(3-propan-2-yloxypropyl)azanium Traditional Name: [(2R)-2-hydroxy-3-piperonyloxy-propyl]-(3-isopropoxypropyl)ammonium Formula: C17H28NO5+ MolecularWeight: 326.40792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO5/c1-13(2)21-7-3-6-18-9-15(19)11-20-10-14-4-5-16-17(8-14)23-12-22-16/h4-5,8,13,15,18-19H,3,6-7,9-12H2,1-2H3/p+1/t15-/m1/s1