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

Systemtic Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C28H31N6OS+ MolecularWeight: 499.65034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NC4CCC[NH+](C4)CC5=CC=CC=C5)C6CC6

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N[C@H]4CCC[NH+](C4)CC5=CC=CC=C5)C6CC6

InChI

InChI=1S/C28H30N6OS/c1-19-15-29-28(32-25(19)24-10-6-14-36-24)34-26(21-11-12-21)23(16-30-34)27(35)31-22-9-5-13-33(18-22)17-20-7-3-2-4-8-20/h2-4,6-8,10,14-16,21-22H,5,9,11-13,17-18H2,1H3,(H,31,35)/p+1/t22-/m0/s1