5-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]pyrimidine

Systemtic Name: 5-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]pyrimidine Openeye Name: 5-[5-(piperazin-4-ium-1-ylmethyl)-3-thienyl]pyrimidine CAS Name: 5-[5-(1-piperazin-4-iumylmethyl)-3-thiophenyl]pyrimidine IUPAC Name: 5-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]pyrimidine Traditional Name: 5-[5-(piperazin-4-ium-1-ylmethyl)-3-thienyl]pyrimidine Formula: C13H17N4S+ MolecularWeight: 261.36588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC(=CS2)C3=CN=CN=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC(=CS2)C3=CN=CN=C3

InChI

InChI=1S/C13H16N4S/c1-3-17(4-2-14-1)8-13-5-11(9-18-13)12-6-15-10-16-7-12/h5-7,9-10,14H,1-4,8H2/p+1