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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)propylammonium CAS Name: 3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)propylazanium Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)propylammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(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+2