[5-(4-bromophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [5-(4-bromophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [5-(4-bromophenyl)-2-furyl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [5-(4-bromophenyl)-2-furanyl]methyl-[2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: [5-(4-bromophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium Traditional Name: [5-(4-bromophenyl)-2-furyl]methyl-[2-(cyclopropylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Br)CC(=O)NC(=O)NC3CC3

Isomeric SMILES

C[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Br)CC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C18H20BrN3O3/c1-22(11-17(23)21-18(24)20-14-6-7-14)10-15-8-9-16(25-15)12-2-4-13(19)5-3-12/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,20,21,23,24)/p+1