[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(2-thienyl)methyl]ammonium CAS Name: [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]ammonium IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-[(R)-phenyl(2-thienyl)methyl]ammonium Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH2+][C@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N5OS/c27-19(25-11-13-26(14-12-25)21-22-9-5-10-23-21)16-24-20(18-8-4-15-28-18)17-6-2-1-3-7-17/h1-10,15,20,24H,11-14,16H2/p+1/t20-/m1/s1