N-[4-[(3S)-2-(2-piperidin-1-ium-1-ylethanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(3S)-2-(2-piperidin-1-ium-1-ylethanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanamide Openeye Name: N-[4-[(3S)-2-(2-piperidin-1-ium-1-ylacetyl)-3-(2-thienyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide CAS Name: N-[4-[(3S)-2-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide IUPAC Name: N-[4-[(3S)-2-(2-piperidin-1-ium-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide Traditional Name: N-[4-[(5S)-1-(2-piperidin-1-ium-1-ylacetyl)-5-(2-thienyl)-2-pyrazolin-3-yl]phenyl]acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CS3)C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C22H26N4O2S/c1-16(27)23-18-9-7-17(8-10-18)19-14-20(21-6-5-13-29-21)26(24-19)22(28)15-25-11-3-2-4-12-25/h5-10,13,20H,2-4,11-12,14-15H2,1H3,(H,23,27)/p+1/t20-/m0/s1