2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethylazanium

Systemtic Name: 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethylazanium Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)ethylammonium CAS Name: 2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethylammonium IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)ethylazanium Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)ethylammonium Formula: C13H24N3+3 MolecularWeight: 222.34976

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC[NH3+])CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CC[NH+]1CC[NH3+])CC2=CC=CC=C2

InChI

InChI=1S/C13H21N3/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12,14H2/p+3