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

Systemtic Name: [(R)-(4-methylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H25N5OS/c1-17-5-7-18(8-6-17)21(19-4-2-15-29-19)25-16-20(28)26-11-13-27(14-12-26)22-23-9-3-10-24-22/h2-10,15,21,25H,11-14,16H2,1H3/p+1/t21-/m1/s1