5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide

Systemtic Name: 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C26H29N6O2S+ MolecularWeight: 489.61246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NC4CC[NH+](C4)CC5=CC=CC=C5)COC

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N[C@H]4CC[NH+](C4)CC5=CC=CC=C5)COC

InChI

InChI=1S/C26H28N6O2S/c1-18-13-27-26(30-24(18)23-9-6-12-35-23)32-22(17-34-2)21(14-28-32)25(33)29-20-10-11-31(16-20)15-19-7-4-3-5-8-19/h3-9,12-14,20H,10-11,15-17H2,1-2H3,(H,29,33)/p+1/t20-/m0/s1