(3-bromophenyl)-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3-bromophenyl)-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (3-bromophenyl)-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: (3-bromophenyl)-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: (3-bromophenyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: (3-bromophenyl)-[2-keto-2-(4-methylpiperazino)ethyl]ammonium Formula: C13H19BrN3O+ MolecularWeight: 313.21346

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C[NH2+]C2=CC(=CC=C2)Br

Isomeric SMILES

CN1CCN(CC1)C(=O)C[NH2+]C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H18BrN3O/c1-16-5-7-17(8-6-16)13(18)10-15-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8,10H2,1H3/p+1