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

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-[(2-bromophenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]-[(2-bromophenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-[(2-bromophenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-[(2-bromophenyl)methyl]-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]-(2-bromobenzyl)-methyl-ammonium Formula: C18H19BrN3O4+ MolecularWeight: 421.26516

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18BrN3O4/c1-22(9-12-4-2-3-5-14(12)19)10-17(23)21-18(24)20-13-6-7-15-16(8-13)26-11-25-15/h2-8H,9-11H2,1H3,(H2,20,21,23,24)/p+1