[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH+](C)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH+](C)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O4S/c1-11(15-4-3-7-25-15)20(2)9-16(21)19-17(22)18-12-5-6-13-14(8-12)24-10-23-13/h3-8,11H,9-10H2,1-2H3,(H2,18,19,21,22)/p+1/t11-/m1/s1