(5-bromanyl-2-methoxy-phenyl)methyl-[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H23BrN2O3/c1-13(20(25)22-18-7-5-6-15(11-18)14(2)24)23(3)12-16-10-17(21)8-9-19(16)26-4/h5-11,13H,12H2,1-4H3,(H,22,25)/p+1/t13-/m0/s1