1-(phenylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]-7-oxa-1-azoniabicyclo[2.2.1]heptan-3-ol

Systemtic Name: 1-(phenylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]-7-oxa-1-azoniabicyclo[2.2.1]heptan-3-ol Openeye Name: 1-benzyl-2-[(E)-3-(2-thienyl)allyl]-7-oxa-1-azoniabicyclo[2.2.1]heptan-3-ol CAS Name: 1-(phenylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]-7-oxa-1-azoniabicyclo[2.2.1]heptan-3-ol IUPAC Name: 1-benzyl-2-[(E)-3-thiophen-2-ylprop-2-enyl]-7-oxa-1-azoniabicyclo[2.2.1]heptan-3-ol Traditional Name: 1-benzyl-2-[(E)-3-(2-thienyl)allyl]-7-oxa-1-azoniabicyclo[2.2.1]heptan-3-ol Formula: C19H22NO2S+ MolecularWeight: 328.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(C(C(C1O2)O)CC=CC3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1C[N+]2(C(C(C1O2)O)C/C=C/C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22NO2S/c21-19-17(10-4-8-16-9-5-13-23-16)20(12-11-18(19)22-20)14-15-6-2-1-3-7-15/h1-9,13,17-19,21H,10-12,14H2/q+1/b8-4+