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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(phenethylamino)ethyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[2-oxo-2-(phenethylamino)ethyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(phenethylamino)ethyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(phenethylamino)ethyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-keto-2-(phenethylamino)ethyl]-methyl-ammonium Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H24BrN3O2/c1-15-12-17(21)8-9-18(15)23-20(26)14-24(2)13-19(25)22-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1