N,N-diethyl-2-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide

Systemtic Name: N,N-diethyl-2-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide Openeye Name: N,N-diethyl-2-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)phenoxy]acetamide CAS Name: N,N-diethyl-2-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-thiophen-2-ylphenoxy]acetamide IUPAC Name: N,N-diethyl-2-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-ylphenoxy]acetamide Traditional Name: N,N-diethyl-2-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)phenoxy]acetamide Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=C(C=C(C=C1)C2=CC=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCN(CC)C(=O)COC1=C(C=C(C=C1)C2=CC=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H31N5O2S/c1-3-29(4-2)24(31)19-32-22-9-8-20(23-7-5-16-33-23)17-21(22)18-28-12-14-30(15-13-28)25-26-10-6-11-27-25/h5-11,16-17H,3-4,12-15,18-19H2,1-2H3/p+1