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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-nitrophenyl)methyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[(2-nitrophenyl)methyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(2-nitrophenyl)methyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(2-nitrophenyl)methyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-(2-nitrobenzyl)ammonium Formula: C17H19BrN3O3+ MolecularWeight: 393.25506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN3O3/c1-12-9-14(18)7-8-15(12)19-17(22)11-20(2)10-13-5-3-4-6-16(13)21(23)24/h3-9H,10-11H2,1-2H3,(H,19,22)/p+1