(3R)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-(3-phenylpropyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Formula: C23H31N6O2+ MolecularWeight: 423.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O2/c30-21(28-14-16-29(17-15-28)23-25-9-5-10-26-23)18-20-22(31)24-11-13-27(20)12-4-8-19-6-2-1-3-7-19/h1-3,5-7,9-10,20H,4,8,11-18H2,(H,24,31)/p+1/t20-/m1/s1