3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propylazanium

Systemtic Name: 3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propylazanium Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propylammonium CAS Name: 3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propylammonium IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propylazanium Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propylammonium Formula: C14H26N3+3 MolecularWeight: 236.37634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3/c15-7-4-8-16-9-11-17(12-10-16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,15H2/p+3