[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(2R)-2-hydroxy-3-piperonyloxy-propyl]-methyl-(2-thenyl)ammonium Formula: C17H22NO4S+ MolecularWeight: 336.42588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C[NH+](CC1=CC=CS1)C[C@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H21NO4S/c1-18(9-15-3-2-6-23-15)8-14(19)11-20-10-13-4-5-16-17(7-13)22-12-21-16/h2-7,14,19H,8-12H2,1H3/p+1/t14-/m1/s1