2-[4-(2-thiophen-3-ylethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-(2-thiophen-3-ylethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[2-(3-thienyl)ethyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[2-(3-thiophenyl)ethyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-(2-thiophen-3-ylethyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[2-(3-thienyl)ethyl]piperazin-4-ium-1-yl]pyrimidine Formula: C14H19N4S+ MolecularWeight: 275.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CSC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CSC=C2)C3=NC=CC=N3

InChI

InChI=1S/C14H18N4S/c1-4-15-14(16-5-1)18-9-7-17(8-10-18)6-2-13-3-11-19-12-13/h1,3-5,11-12H,2,6-10H2/p+1