(3-bromophenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3-bromophenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (3-bromophenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-bromophenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-bromophenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (3-bromobenzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C13H21BrN2+2 MolecularWeight: 285.22324

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C[NH2+]CC2=CC(=CC=C2)Br

Isomeric SMILES

C1C[NH2+]CCC1C[NH2+]CC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H19BrN2/c14-13-3-1-2-12(8-13)10-16-9-11-4-6-15-7-5-11/h1-3,8,11,15-16H,4-7,9-10H2/p+2