2-[4-[4-(piperazin-4-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[4-(piperazin-4-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[4-(piperazin-4-ium-1-ylmethyl)triazol-1-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[4-(1-piperazin-4-iumylmethyl)-1-triazolyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[4-(piperazin-4-ium-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[4-(piperazin-4-ium-1-ylmethyl)triazol-1-yl]piperidino]pyrimidine Formula: C16H25N8+ MolecularWeight: 329.4233

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(N=N2)CN3CC[NH2+]CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1N2C=C(N=N2)CN3CC[NH2+]CC3)C4=NC=CC=N4

InChI

InChI=1S/C16H24N8/c1-4-18-16(19-5-1)23-8-2-15(3-9-23)24-13-14(20-21-24)12-22-10-6-17-7-11-22/h1,4-5,13,15,17H,2-3,6-12H2/p+1