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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

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