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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: (2-amino-2-keto-ethyl)-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C12H17BrN3O2+ MolecularWeight: 315.18628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrN3O2/c1-8-5-9(13)3-4-10(8)15-12(18)7-16(2)6-11(14)17/h3-5H,6-7H2,1-2H3,(H2,14,17)(H,15,18)/p+1