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

Systemtic Name: (3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-3-phenyl-pyrrolidin-1-ium-3-ol Openeye Name: (3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-3-phenyl-pyrrolidin-1-ium-3-ol CAS Name: (3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-3-phenyl-3-pyrrolidin-1-iumol IUPAC Name: (3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-3-phenylpyrrolidin-1-ium-3-ol Traditional Name: (3S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-3-phenyl-pyrrolidin-1-ium-3-ol Formula: C20H24NO4+ MolecularWeight: 342.40886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C[NH+]3CCC(C3)(C4=CC=CC=C4)O)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1C[NH+]3CC[C@@](C3)(C4=CC=CC=C4)O)OCO2

InChI

InChI=1S/C20H23NO4/c1-2-23-17-11-19-18(24-14-25-19)10-15(17)12-21-9-8-20(22,13-21)16-6-4-3-5-7-16/h3-7,10-11,22H,2,8-9,12-14H2,1H3/p+1/t20-/m1/s1