(5-chloranylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-ammonium Formula: C16H21ClN5OS+ MolecularWeight: 366.88884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H20ClN5OS/c1-20(11-13-3-4-14(17)24-13)12-15(23)21-7-9-22(10-8-21)16-18-5-2-6-19-16/h2-6H,7-12H2,1H3/p+1