N4-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

Systemtic Name: N4-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-imidazo[1,5-a]pyrimidine-4,8-dicarboxamide Openeye Name: N4-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-imidazo[1,5-a]pyrimidine-4,8-dicarboxamide CAS Name: N4-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide IUPAC Name: 4-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-imidazo[1,5-a]pyrimidine-4,8-dicarboxamide Formula: C25H27N6O3+ MolecularWeight: 459.52028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=NC3=C(N=CN23)C(=O)N)C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=NC3=C(N=CN23)C(=O)N)C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C25H26N6O3/c26-23(32)22-24-29-18(17-8-3-1-4-9-17)14-19(31(24)16-28-22)25(33)27-15-20(21-10-7-13-34-21)30-11-5-2-6-12-30/h1,3-4,7-10,13-14,16,20H,2,5-6,11-12,15H2,(H2,26,32)(H,27,33)/p+1/t20-/m0/s1