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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-(piperonylamino)ethyl]-methyl-(3-thenyl)ammonium Formula: C16H19N2O3S+ MolecularWeight: 319.39866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N2O3S/c1-18(8-13-4-5-22-10-13)9-16(19)17-7-12-2-3-14-15(6-12)21-11-20-14/h2-6,10H,7-9,11H2,1H3,(H,17,19)/p+1