5-methyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C25H27N6OS+ MolecularWeight: 459.58648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)NC4CCC[NH+](C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N[C@H]4CCC[NH+](C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6OS/c1-18-21(15-27-31(18)25-26-12-11-22(29-25)23-10-6-14-33-23)24(32)28-20-9-5-13-30(17-20)16-19-7-3-2-4-8-19/h2-4,6-8,10-12,14-15,20H,5,9,13,16-17H2,1H3,(H,28,32)/p+1/t20-/m0/s1