7-[4-(phenylmethyl)piperazin-1-ium-1-yl]heptylazanium

Systemtic Name: 7-[4-(phenylmethyl)piperazin-1-ium-1-yl]heptylazanium Openeye Name: 7-(4-benzylpiperazin-1-ium-1-yl)heptylammonium CAS Name: 7-[4-(phenylmethyl)-1-piperazin-1-iumyl]heptylammonium IUPAC Name: 7-(4-benzylpiperazin-1-ium-1-yl)heptylazanium Traditional Name: 7-(4-benzylpiperazin-1-ium-1-yl)heptylammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c19-11-7-2-1-3-8-12-20-13-15-21(16-14-20)17-18-9-5-4-6-10-18/h4-6,9-10H,1-3,7-8,11-17,19H2/p+2