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

Systemtic Name: [4-(phenylmethyl)piperazine-1,4-diium-1-yl]methylazanium Openeye Name: (4-benzylpiperazine-1,4-diium-1-yl)methylammonium CAS Name: [4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methylammonium IUPAC Name: (4-benzylpiperazine-1,4-diium-1-yl)methylazanium Traditional Name: (4-benzylpiperazine-1,4-diium-1-yl)methylammonium Formula: C12H22N3+3 MolecularWeight: 208.32318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3/c13-11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11,13H2/p+3