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

Systemtic Name: [(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H27N5OS/c1-2-18-6-8-19(9-7-18)22(20-5-3-16-30-20)26-17-21(29)27-12-14-28(15-13-27)23-24-10-4-11-25-23/h3-11,16,22,26H,2,12-15,17H2,1H3/p+1/t22-/m1/s1