1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium CAS Name: 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazin-1-ium Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC#CCN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1OCC#CCN2CC[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+1