3-[4-[(3-bromophenyl)methyl]piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[(3-bromophenyl)methyl]piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-[(3-bromophenyl)methyl]piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[(3-bromophenyl)methyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-[(3-bromophenyl)methyl]piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-(3-bromobenzyl)piperazin-1-ium-1-yl]propylammonium Formula: C14H24BrN3+2 MolecularWeight: 314.26446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC[NH3+])CC2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CC[NH+]1CCC[NH3+])CC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H22BrN3/c15-14-4-1-3-13(11-14)12-18-9-7-17(8-10-18)6-2-5-16/h1,3-4,11H,2,5-10,12,16H2/p+2