[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(5-bromo-2-thiophenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(5-bromothiophen-2-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C16H18BrN2O3S+ MolecularWeight: 398.29472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17BrN2O3S/c1-19(8-12-3-5-15(17)23-12)9-16(20)18-7-11-2-4-13-14(6-11)22-10-21-13/h2-6H,7-10H2,1H3,(H,18,20)/p+1