4-[[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine

Systemtic Name: 4-[[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 4-[[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 4-[[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 4-[[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 4-[[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C16H24N5S+ MolecularWeight: 318.46026

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C)C2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCSC1=NN=C(N1C)C2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C16H23N5S/c1-3-22-16-19-18-15(20(16)2)14-6-10-21(11-7-14)12-13-4-8-17-9-5-13/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3/p+1