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

Systemtic Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]-4-phenyl-piperazin-1-ium Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC#CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCC#CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c1-24-20-9-11-21(12-10-20)25-18-6-5-13-22-14-16-23(17-15-22)19-7-3-2-4-8-19/h2-4,7-12H,13-18H2,1H3/p+1