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

Systemtic Name: 5-cyclopropyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C26H27N6OS+ MolecularWeight: 471.59718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC=CS4)C(=O)NC5CC[NH+](C5)CC6=CC=CC=C6

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C5CC5)CC6=CC=CC=C6

InChI

InChI=1S/C26H26N6OS/c33-25(29-20-11-13-31(17-20)16-18-5-2-1-3-6-18)21-15-28-32(24(21)19-8-9-19)26-27-12-10-22(30-26)23-7-4-14-34-23/h1-7,10,12,14-15,19-20H,8-9,11,13,16-17H2,(H,29,33)/p+1/t20-/m0/s1