[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Br)C(=O)C[NH3+]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Br)C(=O)C[NH3+]

InChI

InChI=1S/C13H18BrN3O/c14-12-3-1-11(2-4-12)10-16-5-7-17(8-6-16)13(18)9-15/h1-4H,5-10,15H2/p+1