[4-[[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoylamino]methyl]benzyl]-diethyl-ammonium Formula: C22H30BrN4O2+ MolecularWeight: 462.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C22H29BrN4O2/c1-4-27(5-2)15-18-8-6-17(7-9-18)13-24-22(29)25-14-21(28)26-20-11-10-19(23)12-16(20)3/h6-12H,4-5,13-15H2,1-3H3,(H,26,28)(H2,24,25,29)/p+1