[(3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-3-pyrrolidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-1-ium-3-yl]methanol Formula: C15H22NO4+ MolecularWeight: 280.33948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C[NH+]3CCC(C3)CO)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1C[NH+]3CC[C@@H](C3)CO)OCO2

InChI

InChI=1S/C15H21NO4/c1-2-18-13-6-15-14(19-10-20-15)5-12(13)8-16-4-3-11(7-16)9-17/h5-6,11,17H,2-4,7-10H2,1H3/p+1/t11-/m0/s1