2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C16H20NO2S+ MolecularWeight: 290.4005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH2+]CCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(SC=C1)C[NH2+]CCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19NO2S/c1-12-5-9-20-16(12)11-17-6-4-13-2-3-14-15(10-13)19-8-7-18-14/h2-3,5,9-10,17H,4,6-8,11H2,1H3/p+1