[(3S)-2,5-bis(oxidanylidene)-3-phenyl-pyrrolidin-1-yl]methyl-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [(3S)-2,5-bis(oxidanylidene)-3-phenyl-pyrrolidin-1-yl]methyl-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[[(3S)-2,5-dioxo-3-phenyl-pyrrolidin-1-yl]methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[[(3S)-2,5-dioxo-3-phenyl-1-pyrrolidinyl]methyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[[(3S)-2,5-diketo-3-phenyl-pyrrolidino]methyl]-methyl-ammonium Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CN2C(=O)CC(C2=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CN2C(=O)C[C@H](C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O3/c1-22(12-15-10-16(21)8-9-18(15)26-2)13-23-19(24)11-17(20(23)25)14-6-4-3-5-7-14/h3-10,17H,11-13H2,1-2H3/p+1/t17-/m0/s1