N-(3-methoxypropyl)-2-[4-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[4-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C25H34N5O2S+ MolecularWeight: 468.63476

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O2S/c1-32-15-6-10-26-24(31)20-29-13-11-28(12-14-29)18-22-19-30(17-21-7-3-2-4-8-21)27-25(22)23-9-5-16-33-23/h2-5,7-9,16,19H,6,10-15,17-18,20H2,1H3,(H,26,31)/p+1