[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-(2-thenyl)ammonium Formula: C15H17N2O3S+ MolecularWeight: 305.37208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C[NH2+]CC3=CC=CS3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C[NH2+]CC3=CC=CS3

InChI

InChI=1S/C15H16N2O3S/c18-15(10-16-9-12-2-1-7-21-12)17-11-3-4-13-14(8-11)20-6-5-19-13/h1-4,7-8,16H,5-6,9-10H2,(H,17,18)/p+1