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

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-benzyl-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]-benzyl-methyl-ammonium Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-21(10-13-5-3-2-4-6-13)11-17(22)20-18(23)19-14-7-8-15-16(9-14)25-12-24-15/h2-9H,10-12H2,1H3,(H2,19,20,22,23)/p+1