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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C15H17N2O3S+ MolecularWeight: 305.37208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H16N2O3S/c1-17(8-12-3-2-6-21-12)9-15(18)16-11-4-5-13-14(7-11)20-10-19-13/h2-7H,8-10H2,1H3,(H,16,18)/p+1