(4R)-6-oxidanylidene-N-(4-propan-2-ylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: (4R)-6-oxidanylidene-N-(4-propan-2-ylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: (4R)-N-(4-isopropylphenyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: (4R)-6-keto-N-p-cumenyl-2-(4-pyridin-1-ium-2-ylpiperazino)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H28N6O2/c1-16(2)17-6-8-18(9-7-17)25-22(31)19-15-21(30)27-23(26-19)29-13-11-28(12-14-29)20-5-3-4-10-24-20/h3-10,16,19H,11-15H2,1-2H3,(H,25,31)(H,26,27,30)/p+1/t19-/m1/s1