[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-[(5R)-5-methylazepan-2-ylidene]-phenyl-azanium

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl]-[(5R)-5-methylazepan-2-ylidene]-phenyl-azanium Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl]-[(5R)-5-methylazepan-2-ylidene]-phenyl-ammonium CAS Name: [2-(4-bromophenyl)-2-oxoethyl]-[(5R)-5-methyl-2-azepanylidene]-phenylammonium IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl]-[(5R)-5-methylazepan-2-ylidene]-phenylazanium Traditional Name: [2-(4-bromophenyl)-2-keto-ethyl]-[(5R)-5-methylazepan-2-ylidene]-phenyl-ammonium Formula: C21H24BrN2O+ MolecularWeight: 400.33206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=[N+](CC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)NCC1

Isomeric SMILES

C[C@@H]1CCC(=[N+](CC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)NCC1

InChI

InChI=1S/C21H23BrN2O/c1-16-7-12-21(23-14-13-16)24(19-5-3-2-4-6-19)15-20(25)17-8-10-18(22)11-9-17/h2-6,8-11,16H,7,12-15H2,1H3/p+1/t16-/m1/s1