(3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-indan-2-yl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-indan-2-yl-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]piperazin-4-ium-2-one Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C23H28N6O2/c30-21(27-10-12-28(13-11-27)23-25-6-3-7-26-23)16-20-22(31)24-8-9-29(20)19-14-17-4-1-2-5-18(17)15-19/h1-7,19-20H,8-16H2,(H,24,31)/p+1/t20-/m1/s1