[2-[(4-bromanyl-2,6-dimethyl-phenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium

Systemtic Name: [2-[(4-bromanyl-2,6-dimethyl-phenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium Openeye Name: [2-[(4-bromo-2,6-dimethyl-phenyl)methylamino]-3,4-dioxo-cyclobuten-1-yl]-dimethyl-propyl-ammonium CAS Name: [2-[(4-bromo-2,6-dimethylphenyl)methylamino]-3,4-dioxo-1-cyclobutenyl]-dimethyl-propylammonium IUPAC Name: [2-[(4-bromo-2,6-dimethylphenyl)methylamino]-3,4-dioxocyclobuten-1-yl]-dimethyl-propylazanium Traditional Name: [2-[(4-bromo-2,6-dimethyl-benzyl)amino]-3,4-diketo-cyclobuten-1-yl]-dimethyl-propyl-ammonium Formula: C18H24BrN2O2+ MolecularWeight: 380.29936

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C18H23BrN2O2/c1-6-7-21(4,5)16-15(17(22)18(16)23)20-10-14-11(2)8-13(19)9-12(14)3/h8-9H,6-7,10H2,1-5H3/p+1