2-ethyl-5-[[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]pyrimidine

Systemtic Name: 2-ethyl-5-[[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2-ethyl-5-[[4-[4-(3-thienyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2-ethyl-5-[[4-[4-(3-thiophenyl)-1-triazolyl]-1-piperidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-ethyl-5-[[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2-ethyl-5-[[4-[4-(3-thienyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyrimidine Formula: C18H23N6S+ MolecularWeight: 355.48042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4=CSC=C4

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4=CSC=C4

InChI

InChI=1S/C18H22N6S/c1-2-18-19-9-14(10-20-18)11-23-6-3-16(4-7-23)24-12-17(21-22-24)15-5-8-25-13-15/h5,8-10,12-13,16H,2-4,6-7,11H2,1H3/p+1