[(2R)-1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-benzyl-2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-ammonium CAS Name: [(2R)-1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-benzyl-2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-ammonium Formula: C18H22BrN2O+ MolecularWeight: 362.28408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC=C2C=C(C=CC2=O)Br

Isomeric SMILES

C[NH+](C)[C@H](CC1=CC=CC=C1)CNC=C2C=C(C=CC2=O)Br

InChI

InChI=1S/C18H21BrN2O/c1-21(2)17(10-14-6-4-3-5-7-14)13-20-12-15-11-16(19)8-9-18(15)22/h3-9,11-12,17,20H,10,13H2,1-2H3/p+1/t17-/m1/s1