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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=C(C=C(C=C2)Br)CC

Isomeric SMILES

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=C(C=C(C=C2)Br)CC

InChI

InChI=1S/C18H23BrN2O2/c1-5-9-21(3,4)16-15(17(22)18(16)23)20-11-13-7-8-14(19)10-12(13)6-2/h7-8,10H,5-6,9,11H2,1-4H3/p+1