[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C17H20BrN2O+ MolecularWeight: 348.2575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH2+]C(C)C2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH2+][C@H](C)C2=CC=CC=C2)Br

InChI

InChI=1S/C17H19BrN2O/c1-12-8-9-15(10-16(12)18)20-17(21)11-19-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H,20,21)/p+1/t13-/m1/s1