[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-methyl-azanium

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-methyl-azanium Openeye Name: (4-bromo-1-ethyl-pyrazol-3-yl)methyl-[(1,3-dioxoisoindolin-2-yl)methyl]-methyl-ammonium CAS Name: (4-bromo-1-ethyl-3-pyrazolyl)methyl-[(1,3-dioxo-2-isoindolyl)methyl]-methylammonium IUPAC Name: (4-bromo-1-ethylpyrazol-3-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium Traditional Name: (4-bromo-1-ethyl-pyrazol-3-yl)methyl-methyl-(phthalimidomethyl)ammonium Formula: C16H18BrN4O2+ MolecularWeight: 378.24372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C[NH+](C)CN2C(=O)C3=CC=CC=C3C2=O)Br

Isomeric SMILES

CCN1C=C(C(=N1)C[NH+](C)CN2C(=O)C3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C16H17BrN4O2/c1-3-20-8-13(17)14(18-20)9-19(2)10-21-15(22)11-6-4-5-7-12(11)16(21)23/h4-8H,3,9-10H2,1-2H3/p+1