1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazine-1,4-diium CAS Name: 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazine-1,4-diium Formula: C22H28N2O2+2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC#CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1OCC#CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2/c1-25-21-11-5-6-12-22(21)26-18-8-7-13-23-14-16-24(17-15-23)19-20-9-3-2-4-10-20/h2-6,9-12H,13-19H2,1H3/p+2