1-[(5Z)-1-azanyl-5-[(4-dimethylaminophenyl)methylidene]-2-propan-2-yl-4H-imidazol-3-ium-3-yl]-3,3-dimethyl-butan-2-one bromide

Systemtic Name: 1-[(5Z)-1-azanyl-5-[(4-dimethylaminophenyl)methylidene]-2-propan-2-yl-4H-imidazol-3-ium-3-yl]-3,3-dimethyl-butan-2-one bromide Openeye Name: 1-[(5Z)-1-amino-5-[(4-dimethylaminophenyl)methylene]-2-isopropyl-4H-imidazol-3-ium-3-yl]-3,3-dimethyl-butan-2-one bromide CAS Name: 1-[(5Z)-1-amino-5-[(4-dimethylaminophenyl)methylidene]-2-propan-2-yl-4H-imidazol-3-ium-3-yl]-3,3-dimethyl-2-butanone bromide IUPAC Name: 1-[(5Z)-1-amino-5-[(4-dimethylaminophenyl)methylidene]-2-propan-2-yl-4H-imidazol-3-ium-3-yl]-3,3-dimethylbutan-2-one bromide Traditional Name: 1-[(4Z)-3-amino-4-[4-(dimethylamino)benzylidene]-2-isopropyl-2-imidazolin-1-ium-1-yl]-3,3-dimethyl-butan-2-one bromide Formula: C21H33BrN4O MolecularWeight: 437.41692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](CC(=CC2=CC=C(C=C2)N(C)C)N1N)CC(=O)C(C)(C)C.[Br-]

Isomeric SMILES

CC(C)C1=[N+](C/C(=C/C2=CC=C(C=C2)N(C)C)/N1N)CC(=O)C(C)(C)C.[Br-]

InChI

InChI=1S/C21H33N4O.BrH/c1-15(2)20-24(14-19(26)21(3,4)5)13-18(25(20)22)12-16-8-10-17(11-9-16)23(6)7;/h8-12,15H,13-14,22H2,1-7H3;1H/q+1;/p-1/b18-12-;