(5-bromanyl-2-methoxy-phenyl)methyl-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H21BrN3O2+ MolecularWeight: 403.29294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O2/c1-13(19(24)22-17-7-4-14(11-21)5-8-17)23(2)12-15-10-16(20)6-9-18(15)25-3/h4-10,13H,12H2,1-3H3,(H,22,24)/p+1/t13-/m0/s1