1-(phenylmethyl)-4-[3-(2-prop-2-enylphenoxy)propyl]piperazine-1,4-diium

Systemtic Name: 1-(phenylmethyl)-4-[3-(2-prop-2-enylphenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-[3-(2-allylphenoxy)propyl]-4-benzyl-piperazine-1,4-diium CAS Name: 1-(phenylmethyl)-4-[3-(2-prop-2-enylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[3-(2-prop-2-enylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-[3-(2-allylphenoxy)propyl]-4-benzyl-piperazine-1,4-diium Formula: C23H32N2O+2 MolecularWeight: 352.51298

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCC1=CC=CC=C1OCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O/c1-2-9-22-12-6-7-13-23(22)26-19-8-14-24-15-17-25(18-16-24)20-21-10-4-3-5-11-21/h2-7,10-13H,1,8-9,14-20H2/p+2