(4-methylphenoxy)methyl-[(E)-3-(pyridin-3-ylmethylamino)oxy-1-thiophen-2-yl-prop-1-en-2-yl]azanium

Systemtic Name: (4-methylphenoxy)methyl-[(E)-3-(pyridin-3-ylmethylamino)oxy-1-thiophen-2-yl-prop-1-en-2-yl]azanium Openeye Name: (4-methylphenoxy)methyl-[(E)-1-[(3-pyridylmethylamino)oxymethyl]-2-(2-thienyl)vinyl]ammonium CAS Name: (4-methylphenoxy)methyl-[(E)-3-(3-pyridinylmethylamino)oxy-1-thiophen-2-ylprop-1-en-2-yl]ammonium IUPAC Name: (4-methylphenoxy)methyl-[(E)-3-(pyridin-3-ylmethylamino)oxy-1-thiophen-2-ylprop-1-en-2-yl]azanium Traditional Name: (4-methylphenoxy)methyl-[(E)-1-[(3-pyridylmethylamino)oxymethyl]-2-(2-thienyl)vinyl]ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC[NH2+]C(=CC2=CC=CS2)CONCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OC[NH2+]/C(=C/C2=CC=CS2)/CONCC3=CN=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-17-6-8-20(9-7-17)25-16-23-19(12-21-5-3-11-27-21)15-26-24-14-18-4-2-10-22-13-18/h2-13,23-24H,14-16H2,1H3/p+1/b19-12+