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

Systemtic Name: 2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(3-thenyl)piperazin-4-ium-1-yl]pyrimidine Formula: C13H17N4S+ MolecularWeight: 261.36588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C3=NC=CC=N3

InChI

InChI=1S/C13H16N4S/c1-3-14-13(15-4-1)17-7-5-16(6-8-17)10-12-2-9-18-11-12/h1-4,9,11H,5-8,10H2/p+1